762	727	790	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	Cl	3:2:1:	3:3:3:	3:	C[5a,6]-3:N[6]-2:Cl-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(Cl)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]Cl)	Cl(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(Cl){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]Cl){1|Ru<9>,1|Si<4>,1|C<3>,1|H<1>}	Cl(C[6]C[5a,6]N[6])	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	119.5590	0.000	1	118.4638	0.298	18	118.4638	0.298	18
762	727	790	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	Cl	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:Cl-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]N[6])(Cl)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]Cl)	Cl(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6a]N[6])(Cl){1|C<4>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]Cl){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	Cl(C[6]C[5a,6]C[6])	117.2190	0.000	1	117.2190	0.000	1	117.2190	0.000	1	117.2190	0.000	1	118.4638	0.298	18	118.4638	0.298	18
762	727	790	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	Cl	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	Cl(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){2|Br<1>,1|B<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){1|Br<1>,1|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	Cl(C[6]C[5a,6]2)	118.7810	0.645	2	118.6707	0.201	4	118.4731	0.154	16	118.4731	0.154	16	118.4638	0.298	18	118.4638	0.298	18
762	727	790	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	Cl	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br)	Cl(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){2|Br<1>,1|B<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]Br){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	Cl(C[6]C[5a,6]2)	118.5605	0.373	2	118.6707	0.201	4	118.4731	0.154	16	118.4731	0.154	16	118.4638	0.298	18	118.4638	0.298	18
762	727	790	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	Cl	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	Cl(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	Cl(C[6]C[5a,6]2)	118.4278	0.435	6	118.4072	0.136	12	118.4731	0.154	16	118.4731	0.154	16	118.4638	0.298	18	118.4638	0.298	18
762	727	790	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	Cl	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	Cl(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	Cl(C[6]C[5a,6]2)	118.5120	0.000	1	118.4072	0.136	12	118.4731	0.154	16	118.4731	0.154	16	118.4638	0.298	18	118.4638	0.298	18
762	727	790	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	Cl	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:Cl-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(Cl)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H)	Cl(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(Cl){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]Cl)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	Cl(C[6]C[5a,6]2)	118.3616	0.363	5	118.4072	0.136	12	118.4731	0.154	16	118.4731	0.154	16	118.4638	0.298	18	118.4638	0.298	18
762	727	813	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[5a,6]	3:3:1:	3:3:2:	3:3:3:	C[5a,6]-3:N[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(O)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]N[5a,6]O)(N[5a]C[5a])	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(O){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]N[5a,6]O)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	N[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<2>,2|C<4>}	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1	109.8910	0.000	1
762	727	818	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:N[6]-3:C[5]-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N[5]-3:N[5]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Ir)(C[5]N[5]2)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5]N[6])	C[5](C[6]C[5a,6]N[6])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Ir)(C[5]N[5]2){3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5]N[6]){1|Ir<6>,1|H<1>,2|N<3>,3|C<3>}	C[5](C[6]C[5a,6]N[6])(N[5]C[5,6a]Ir)(N[5]C[5,6a]H){1|N<3>,4|C<3>}	127.4220	0.000	1	127.4220	0.000	1	127.4220	0.000	1	127.4220	0.000	1	126.9585	0.430	2	125.0997	12.413	12
762	727	818	0:SP2_SP2_SP2	C[6]	C[5a,6]	C[5]	3:4:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[6]-4:C[5]-3:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[5]-3:C[5]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5]C[6])(C[5a]O[5a]C)	C[5](C[6]C[5a,6]C[6])(C[5]C[5]C)(C[5]O[5]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(C[5]C[5]2){1|O<1>,2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5]C[6])(C[5a]O[5a]C){2|C<3>,2|C<4>,4|H<1>}	C[5](C[6]C[5a,6]C[6])(C[5]C[5]C)(C[5]O[5]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	126.4950	0.000	1	126.4950	0.000	1	126.4950	0.000	1	126.4950	0.000	1	126.9585	0.430	2	125.0997	12.413	12
762	727	818	0:SP2_SP2_SP2	C[6]	C[5a]	C[5,6]	3:3:3:	3:3:2:	3:3:3:	C[5,6]-3:C[5a]-3:N[6]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[5,6]-3:C[6]-3:N[5]-3:	C[6](C[5,6]C[5,6]N[5])(C[5a]C[5a]O[5a])(N[6]C[6]Pd)	C[5a](C[6]C[5,6]N[6])(C[5a]C[5a]Pd)(O[5a]C[5a])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5a]N[6])(N[5]C[5]Pd)	C[6](C[5,6]C[5,6]N[5])(C[5a]C[5a]O[5a])(N[6]C[6]Pd){1|Pd<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a](C[6]C[5,6]N[6])(C[5a]C[5a]Pd)(O[5a]C[5a]){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5a]N[6])(N[5]C[5]Pd){1|Pd<4>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	117.2820	0.000	1	117.2820	0.000	1	117.2820	0.000	1	117.2820	0.000	1	124.7279	14.202	10	125.0997	12.413	12
762	727	818	0:SP2_SP2_SP2	C[6]	C[5a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[5a]-3:N[6]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(N[6]C[6]Pt)	C[5a](C[6]C[5,6]N[6])(C[5a]C[5a]Pt)(S[5a]C[5a])	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(N[6]C[6]Pt){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[6]C[5,6]N[6])(C[5a]C[5a]Pt)(S[5a]C[5a]){1|C<4>,1|H<1>,3|C<3>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH){1|Pt<4>,1|S<2>,3|C<3>,4|H<1>}	127.0060	0.000	1	128.3020	1.124	4	128.3020	1.124	4	128.3020	1.124	4	124.7279	14.202	10	125.0997	12.413	12
762	727	818	0:SP2_SP2_SP2	C[6]	C[5a]	C[5,6]	3:3:3:	3:3:2:	3:3:4:	C[5,6]-3:C[5a]-3:N[6]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(N[6]C[6]Pt)	C[5a](C[6]C[5,6]N[6])(C[5a]C[5a]Pt)(S[5a]C[5a])	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(N[6]C[6]Pt){2|C<4>,3|C<3>,3|H<1>}	C[5a](C[6]C[5,6]N[6])(C[5a]C[5a]Pt)(S[5a]C[5a]){1|C<4>,2|C<3>,2|H<1>}	C[5,6](C[5,6]C[5]C[6])(C[6]C[5a]N[6])(C[5]C[5]HH){1|Pt<4>,1|S<2>,3|C<3>,4|H<1>}	128.7340	0.752	3	128.3020	1.124	4	128.3020	1.124	4	128.3020	1.124	4	124.7279	14.202	10	125.0997	12.413	12
762	727	818	0:SP2_SP2_SP2	C[6]	C[5a]	C[5,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[5,6]-4:N[5]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	C[5a](C[6]C[6,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,6](C[6]C[6,6a]C[5a])(C[5,6]C[5]O[6]H)(N[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,3|H<1>,5|C<3>}	C[5a](C[6]C[6,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6](C[6]C[6,6a]C[5a])(C[5,6]C[5]O[6]H)(N[5]C[5]){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	124.0715	0.547	2	124.0715	0.299	2	124.0715	0.299	2	124.0715	0.299	2	124.7279	14.202	10	125.0997	12.413	12
762	727	818	0:SP2_SP2_SP2	C[6]	C[5a]	C[5,6]	3:3:3:	3:3:3:	4:3:2:	C[6,6a]-3:C[5,6]-3:C[5a]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[5,6]-4:C[6]-3:N[5]-2:	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a])	C[5a](C[6]C[6,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H)	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[6]C[6,6a]C[5a])(N[5]C[5])	C[6](C[6,6a]C[6,6a]C[6a])(C[5,6]C[5,6]N[5])(C[5a]C[5a]N[5a]){1|C<4>,1|F<1>,1|O<2>,2|H<1>,6|C<3>}	C[5a](C[6]C[6,6a]C[5,6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[5,6](C[5,6]C[5,6]C[5]O[6])(C[6]C[6,6a]C[5a])(N[5]C[5]){1|N<3>,1|O<1>,1|O<2>,6|C<3>}	122.7810	0.000	1	122.7810	0.000	1	122.7810	0.000	1	122.7810	0.000	1	124.7279	14.202	10	125.0997	12.413	12
762	727	818	0:SP2_SP2_SP2	C[6]	C[5a]	C[5,6]	3:3:4:	3:3:2:	4:3:2:	C[5,6]-3:C[5a]-3:C[6]-4:	C[5a]-3:C[6]-3:O[5a]-2:	C[5,6]-4:C[6]-3:O[5]-2:	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH)	C[5a](C[5a]C[5a,6a]H)(C[6]C[5,6]C[6])(O[5a]C[5a,6a])	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a])	C[6](C[5,6]C[5,6]O[5])(C[5a]C[5a]O[5a])(C[6]C[6]HH){1|C<4>,4|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6a]H)(C[6]C[5,6]C[6])(O[5a]C[5a,6a]){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6]C[5,6a]C[6]H)(C[6]C[5a]C[6])(O[5]C[5,6a]){1|C<4>,1|O<2>,2|H<1>,5|C<3>}	121.1280	0.000	1	121.1280	0.000	1	121.1280	0.000	1	121.1280	0.000	1	124.7279	14.202	10	125.0997	12.413	12
762	727	818	0:SP2_SP2_SP2	C[6]	C[5a]	C[5,6]	3:3:4:	3:3:2:	4:3:3:	C[5,6]-3:C[5a]-3:C[6]-4:	C[6]-3:C[5a]-3:S[5a]-2:	C[5,6]-4:C[6]-3:C[5]-3:	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH)	C[5a](C[6]C[5,6]C[6])(C[5a]C[5a]H)(S[5a]C[5a])	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O)	C[6](C[5,6]C[5,6]C[5])(C[5a]C[5a]S[5a])(C[6]C[6]CH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,5|C<3>}	C[5a](C[6]C[5,6]C[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	C[5,6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[5a]C[6])(C[5]C[5,6a]O){1|H<1>,1|S<2>,2|C<4>,5|C<3>}	124.7370	0.000	1	124.7370	0.000	1	124.7370	0.000	1	124.7370	0.000	1	124.7279	14.202	10	125.0997	12.413	12
762	727	818	6:SP2_SP2_SP2	C[6,6]	C[5a,6,6]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6,6]-3:C[5,6]-3:C[6]-2:	C[5a,6]-3:N[5a,6]-3:C[6,6]-3:	C[6,6]-3:N[5,6]-3:S[5]-2:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6])	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6])	C[5,6](C[6,6]C[5a,6,6]C[6])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a])	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5,6]N[5,6]S[5])(C[6]C[6]){1|B<4>,1|H<1>,5|C<3>}	C[5a,6,6](C[5a,6]C[5a,6a]C[6])(N[5a,6]C[5a,6a]B[6])(C[6,6]C[5,6]C[6]){1|H<1>,1|N<3>,1|S<2>,2|O<2>,3|C<3>}	C[5,6](C[6,6]C[5a,6,6]C[6])(N[5,6]C[5,6a]B[6])(S[5]C[5,6a]){1|N<3>,2|O<2>,4|C<3>}	116.9780	0.000	1	116.9780	0.000	1	116.9780	0.000	1	116.9780	0.000	1	116.9780	0.000	1	119.8338	8.965	13
762	727	818	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5,6]	3:3:1:	3:3:2:	3:3:2:	C[5a,6]-3:C[5,6]-3:F-1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5])(F)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]F)(S[5a]S[5a])	C[5,6](C[5,6]N[5]N[6])(C[6]C[5a,6]F)(S[5]S[5])	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5])(F){1|N<3>,2|N<2>,2|S<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]F)(S[5a]S[5a]){1|C<3>,1|C<4>,1|S<2>}	C[5,6](C[5,6]N[5]N[6])(C[6]C[5a,6]F)(S[5]S[5]){1|C<3>,1|C<4>,1|S<2>}	121.5885	0.442	2	121.5885	0.195	2	121.5885	0.195	2	121.5885	0.195	2	120.0718	8.977	12	119.8338	8.965	13
762	727	818	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[5,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H)	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|Br<1>,1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,2|F<1>,3|C<4>}	121.6450	0.000	1	121.9725	0.215	2	122.3730	0.588	3	122.3730	0.588	3	120.0718	8.977	12	119.8338	8.965	13
762	727	818	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[5,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H)	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|Br<1>,1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]HH){1|C<3>,1|N<3>,5|C<4>}	122.3000	0.000	1	121.9725	0.215	2	122.3730	0.588	3	122.3730	0.588	3	120.0718	8.977	12	119.8338	8.965	13
762	727	818	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5,6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:C[5,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[5,6]-3:C[6]-3:C[5]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H)	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]CC)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|B<4>,3|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	C[5,6](N[5,6]B[6]C[5])(C[6]C[5a,6]H)(C[5]C[5]CC){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	123.1740	0.000	1	123.1740	0.000	1	122.3730	0.588	3	122.3730	0.588	3	120.0718	8.977	12	119.8338	8.965	13
762	727	818	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5,6]	3:3:1:	3:3:3:	4:3:3:	C[5a,6]-3:C[5,6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:N[5]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6,6]N[5])(H)	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5a]C[5a]H)(C[6]C[5,6]H)	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]H)(N[5]C[5]S)	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6,6]N[5])(H){1|C<3>,1|S<2>,1|S<4>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5a]C[5a]H)(C[6]C[5,6]H){1|N<3>,2|C<4>,2|H<1>}	C[5,6](C[5,6,6]C[5,6]C[6,6]H)(C[6]C[5a,6]H)(N[5]C[5]S){2|C<3>,2|C<4>,4|H<1>}	117.1430	0.000	1	117.1430	0.000	1	117.1430	0.000	1	117.1430	0.000	1	120.0718	8.977	12	119.8338	8.965	13
762	727	818	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5,6]	3:3:2:	3:3:3:	3:3:2:	C[5a,6]-3:C[5,6]-3:C-2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	N[5,6]-3:C[6]-3:S[5]-2:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(CN)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C)	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5a,6]C)(S[5]C[5,6a])	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(CN){1|B<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C[5,6](N[5,6]C[5,6a]B[6])(C[6]C[5a,6]C)(S[5]C[5,6a]){1|N<3>,2|F<1>,3|C<3>}	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	120.0718	8.977	12	119.8338	8.965	13
762	727	818	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5,6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[5,6]-3:N[5]-2:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H)	C[5,6](C[6]C[5a,6]C[6a])(C[5,6]C[5]C[6])(N[5]C[5])	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]C[5,6]N[5])(C[6a]C[6a]2){3|H<1>,7|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H){1|Re<6>,1|H<1>,1|N<2>,4|C<3>}	C[5,6](C[6]C[5a,6]C[6a])(C[5,6]C[5]C[6])(N[5]C[5]){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	115.6560	0.000	1	115.6560	0.000	1	115.6560	0.000	1	115.6560	0.000	1	120.0718	8.977	12	119.8338	8.965	13
762	727	818	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:N[5,6]-3:C[5]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C)	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,1|C<2>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	122.7750	0.000	1	122.1940	0.675	2	121.4800	1.867	3	121.4800	1.867	3	120.0718	8.977	12	119.8338	8.965	13
762	727	818	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:N[5,6]-3:C[5]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C)	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]C)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,1|C<2>,2|C<4>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]C){1|N<3>,2|C<4>,2|F<1>,3|C<3>}	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]C){1|C<4>,1|N<3>,2|F<1>,3|C<3>}	121.6130	0.000	1	122.1940	0.675	2	121.4800	1.867	3	121.4800	1.867	3	120.0718	8.977	12	119.8338	8.965	13
762	727	818	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5,6]	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5,6]-3:C[6a]-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:N[5,6]-3:C[5]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H)	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(C[6a]C[6a]2){1|B<4>,2|F<1>,2|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5,6]C[6a])(C[5a]C[5a]H){1|H<1>,1|N<3>,1|N<4>,2|F<1>,3|C<3>}	C[5,6](C[6]C[5a,6]C[6a])(N[5,6]B[6]C[5])(C[5]C[5]H){1|H<1>,1|N<3>,1|O<1>,2|F<1>,3|C<3>}	120.0520	0.000	1	120.0520	0.000	1	121.4800	1.867	3	121.4800	1.867	3	120.0718	8.977	12	119.8338	8.965	13
762	727	818	6:SP2_SP2_SP2	C[6]	C[5a,6]	C[5,6]	3:3:4:	3:3:3:	4:3:3:	C[5a,6]-3:C[5,6]-3:C-4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[5]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C)	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5a,6]C)(C[5]O[5]O)	C[6](C[5a,6]C[5a,6]N[5a])(C[5,6]C[5,6]C[5])(CH3){1|N<2>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5,6]C){1|C<4>,3|C<3>,3|H<1>}	C[5,6](C[5,6]C[5]C[6]C)(C[6]C[5a,6]C)(C[5]O[5]O){1|N<3>,2|C<3>,3|H<1>}	113.8450	0.000	1	113.8450	0.000	1	113.8450	0.000	1	113.8450	0.000	1	120.0718	8.977	12	119.8338	8.965	13
762	727	830	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	F	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[5,6]-3:F-1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5])(F)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]F)(S[5a]S[5a])	F(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]C[5,6]S[5])(F){1|N<3>,2|N<2>,2|S<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[5,6]F)(S[5a]S[5a]){1|C<3>,1|C<4>,1|S<2>}	F(C[6]C[5a,6]C[5,6])	119.1630	0.615	2	119.1630	0.378	2	119.1630	0.378	2	119.1630	0.378	2	119.1630	0.378	2	119.1630	0.378	2
762	727	849	6:SP2_SP2_SP3	C[6,6]	C[5a,6]	P[6,6]	3:3:4:	3:3:3:	3:3:3:1:	C[5a,6]-3:C[5a,6]-3:P[6,6]-4:	C[6,6]-3:C[5a,6]-3:N[5a]-3:	C[5,6]-3:C[5,6]-3:C[6,6]-3:O-1:	C[6,6](C[5a,6]C[5a,6]N[5a])2(P[6,6]C[5,6]2O)	C[5a,6](C[6,6]C[5a,6]P[6,6])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]Ni)	P[6,6](C[5,6]C[5,6a]C[5,6])2(C[6,6]C[5a,6]2)(O)	C[6,6](C[5a,6]C[5a,6]N[5a])2(P[6,6]C[5,6]2O){1|Ni<4>,8|C<3>}	C[5a,6](C[6,6]C[5a,6]P[6,6])(C[5a,6]C[5,6]C[5a])(N[5a]C[5a]Ni){1|H<1>,1|N<3>,1|O<1>,1|S<4>,4|C<3>}	P[6,6](C[5,6]C[5,6a]C[5,6])2(C[6,6]C[5a,6]2)(O){2|N<3>,2|S<4>,6|C<3>}	120.1530	3.668	2	120.1530	13.458	2	120.1530	13.458	2	120.1530	13.458	2	120.1530	13.458	2	120.1530	13.458	2
762	727	856	0:SP2_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:3:3:	3:3:2:	3:4:1:	C[5a,6]-3:N[6,6]-3:N[6]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a])	N[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]CC)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]CC)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	124.6430	0.000	1	124.6430	0.000	1	124.6430	0.000	1	124.6430	0.000	1	124.3294	0.162	5	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6]-3:C[5a,6]-3:N[6]-3:	C[6,6]-3:N[5a,6]-3:C[5a]-3:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)	C[5a,6](C[6,6]C[5a,6,6]N[6])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H)	N[6](C[6,6]C[5a,6,6]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H){1|B<4>,1|H<1>,6|C<3>}	C[5a,6](C[6,6]C[5a,6,6]N[6])(N[5a,6]C[5a]B[6])(C[5a]C[5a]H){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	N[6](C[6,6]C[5a,6,6]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	123.9680	0.000	1	123.9680	0.000	1	123.9680	0.000	1	123.9680	0.000	1	124.3294	0.162	5	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[6]-3:N[6,6]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[6,6]-3:C[6,6a]-3:C-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H)	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(CH3)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])(CH3){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	124.3453	0.458	3	124.3453	0.210	3	124.3453	0.210	3	124.3453	0.210	3	124.3294	0.162	5	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:3:	3:2:1:	C[5a]-3:N[6]-3:N[6]-2:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6])	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(C[6]N[6]2)	N[6](C[6]C[5a]N[6])(N[6]C[6])(H)	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(C[6]N[6]2){1|H<1>,1|N<3>,2|N<2>}	N[6](C[6]C[5a]N[6])(N[6]C[6])(H){1|C<3>,1|N<2>,2|N<3>}	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:S[5a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2){1|C<3>,1|S<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|H<1>,1|S<2>,1|S<3>,3|C<3>}	117.4970	0.000	1	117.4970	0.000	1	117.4970	0.000	1	117.4970	0.000	1	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-2:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(N[5a]N[5a]){3|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	120.0540	0.000	1	120.0540	0.000	1	117.8530	3.166	5	118.3099	5.009	8	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-2:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])2	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a])2{2|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	117.3028	1.484	4	117.3028	2.203	4	117.8530	3.166	5	118.3099	5.009	8	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-2:S[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(S[5a]C[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(S[5a]C[5a]){2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	115.8380	0.000	1	115.8380	0.000	1	115.8380	0.000	1	118.3099	5.009	8	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:2:2:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:N[5a]-2:O[5a]-2:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O)	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(O[5a]C[5a]){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O){1|N<2>,1|O<2>,2|H<1>,3|C<3>}	120.6880	1.984	2	120.6880	3.937	2	120.6880	3.937	2	118.3099	5.009	8	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:C[6]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[5a](C[5a]C[6a]N[5a])(C[6]C[6]N[6])(N[5a]C[5a]){1|N<2>,3|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.4840	0.000	1	119.4840	0.000	1	119.4840	0.000	1	117.9765	3.340	18	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.6620	0.000	1	119.1495	2.788	6	119.1495	2.788	6	117.9765	3.340	18	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]N[5a]){2|C<3>,4|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	119.2470	1.847	5	119.1495	2.788	6	119.1495	2.788	6	117.9765	3.340	18	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:O[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6]C[5a]C[6])(C[6]N[6]O)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	114.0630	0.000	1	114.0630	0.000	1	114.0630	0.000	1	117.9765	3.340	18	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:S[5a]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]H){1|H<1>,1|S<2>,5|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<2>,2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	116.7805	0.771	2	116.7805	0.595	2	116.7805	0.595	2	117.9765	3.340	18	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a]){2|H<1>,4|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.4520	0.000	1	119.4520	0.000	1	117.4236	1.456	7	117.9765	3.340	18	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]N[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]N[5a]){2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	116.7242	0.876	4	116.7242	0.767	4	117.4236	1.456	7	117.9765	3.340	18	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]C[5a]){2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.9940	0.000	1	117.9940	0.000	1	117.4236	1.456	7	117.9765	3.340	18	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]N[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]H)(N[5a]N[5a]){2|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.6220	0.000	1	117.6220	0.000	1	117.4236	1.456	7	117.9765	3.340	18	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]H)(N[5a]C[5a]){1|H<1>,1|O<1>,4|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.6070	0.000	1	119.6070	0.000	1	119.6070	0.000	1	117.9765	3.340	18	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:2:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:O-2:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(OMn)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){1|Mn<6>,1|C<3>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a]Mn)(N[5a]N[5a]){1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(OMn){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	122.2630	0.000	1	122.2630	0.000	1	122.2630	0.000	1	122.2630	0.000	1	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C)	C[5a](C[6]C[6]N[6])(C[5a]N[5a]H)(N[5a]N[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CH3)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]N[5a]H)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|H<1>}	120.9020	0.000	1	120.9020	0.000	1	120.9020	0.000	1	119.7526	0.607	5	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:2:	3:3:4:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:N[5a]-3:N[5a]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C)	C[5a](C[6]C[6]N[6])(N[5a]C[5a]N)(N[5a]N[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|H<1>,2|N<2>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a]N)(N[5a]N[5a]){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(CCHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.4652	0.509	4	119.4652	0.259	4	119.4652	0.259	4	119.7526	0.607	5	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H)	N[6](C[6]C[5a]C[6])(C[6]C[6a]C[6])(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	116.1590	0.000	2	116.1590	0.000	2	115.6748	0.368	4	117.9538	5.164	10	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H)	N[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]H){1|C<2>,1|C<4>,3|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6])2(H){1|C<4>,2|C<2>,4|C<3>}	115.1905	0.408	2	115.1905	0.166	2	115.6748	0.368	4	117.9538	5.164	10	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[5a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H)	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]N[6])	N[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]S[6]H)(N[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[5a](C[5a]C[5a,6a]C)(N[5a]C[5a,6a]H)(C[6]C[6]N[6]){1|S<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6])2(H){1|S<4>,2|C<3>,2|H<1>,2|N<3>}	117.7490	0.000	1	117.7490	0.000	1	117.7490	0.000	1	117.9538	5.164	10	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|Br<1>,1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	117.9538	5.164	10	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H)	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(N[5a]C[5a]H){1|O<1>,2|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|N<3>,2|C<3>,2|H<1>}	120.7623	0.464	3	120.7623	0.215	3	120.7623	0.215	3	117.9538	5.164	10	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[5a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	118.5680	0.000	1	118.5680	0.000	1	118.5680	0.000	1	117.9538	5.164	10	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6a]-3:C[5a]-3:N[6]-3:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]N)	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6])(C[5a]N[5a]H)	N[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6])(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[5a]C[5a,6a]C[5a])(N[6]C[6]N){1|N<3>,2|H<1>,6|C<3>}	C[5a](C[5a,6a]C[5a,6a]C[6a])(C[6]C[6,6a]N[6])(C[5a]N[5a]H){1|N<3>,2|H<1>,5|C<3>}	N[6](C[6]C[6,6a]C[5a])(C[6]C[6a]C[6])(NHH){1|H<1>,6|C<3>}	118.3490	0.000	1	118.3490	0.000	1	118.3490	0.000	1	118.3490	0.000	1	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:3:	3:3:3:	3:3:4:	C[5a]-3:C[6]-3:N[6]-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:B-4:	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B)	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B){1|N<3>,2|H<1>,4|C<3>}	C[5a](C[5a,6]N[5a,5a,6]C[6])(C[5a]C[5a,5a]C[6a])(C[6]C[6]N[6]){1|B<4>,2|H<1>,7|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H)(BC[6a]3){2|H<1>,3|C<3>}	121.8250	0.530	2	121.8250	0.281	2	121.8250	0.281	2	121.8250	0.281	2	118.4848	4.226	47	119.0468	6.851	52
762	727	856	0:SP2_SP2_SP3	C[6]	C[5a]	N[6]	3:3:2:	3:2:3:	3:3:1:	C[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:S[5a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2){1|C<3>,1|S<2>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])(H){1|H<1>,2|S<2>,3|C<3>}	117.3370	0.000	1	117.3370	0.000	1	117.3370	0.000	1	117.3370	0.000	1	117.3370	0.000	1	117.3370	0.000	1
762	727	856	6:SP2_SP2_SP2	C[6,6]	C[5a,6,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6,6]-3:C[5a,6]-3:N[6]-3:	C[5a,6]-3:C[6,6]-3:N[5a,6]-3:	C[6,6]-3:C[6,6a]-3:H-1:	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6])	N[6](C[6,6]C[5a,6,6]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H)	C[6,6](C[5a,6,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H){1|B<4>,1|H<1>,6|C<3>}	C[5a,6,6](C[5a,6]C[6,6a]C[5a])(C[6,6]C[5a,6]N[6])(N[5a,6]C[5a]B[6]){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	N[6](C[6,6]C[5a,6,6]C[5a,6])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,2|N<3>,4|C<3>}	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:2:	3:3:3:	4:3:4:	C[5a,6]-3:N[6,6]-3:N[6]-2:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a])	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H)	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[5a,6]N[6])(C[6]C[6]HH){1|N<3>,2|H<1>,5|C<3>}	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	115.1940	0.000	1	115.7532	1.023	8	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:3:	3:3:2:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[6,6]-3:B[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[5a,6](C[5a,6]S[5a]N[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a])	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5a,6](C[5a,6]S[5a]N[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a]){1|B<4>,1|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6])(B[6]N[6]FF)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	117.0560	0.000	1	117.0560	0.000	1	117.0560	0.000	1	115.4590	5.101	2	115.7532	1.023	8	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:3:	3:3:2:	3:4:3:	C[5a,6]-3:N[6,6]-3:N[6]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a])	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6]CO)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	113.8620	0.000	1	113.8620	0.000	1	113.8620	0.000	1	115.4590	5.101	2	115.7532	1.023	8	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:N[6]-3:N[6,6]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]C)(N[6,6]C[6]2){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]N[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	115.7420	0.186	3	115.7420	0.035	3	115.7420	0.035	3	115.7420	0.035	3	115.7532	1.023	8	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H){1|C<4>,3|H<1>,4|C<3>}	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]HH)(C[6]C[6]2){1|N<3>,2|C<3>,2|N<2>,4|H<1>}	116.9800	0.000	1	116.9800	0.000	1	116.9800	0.000	1	116.9800	0.000	1	115.7532	1.023	8	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6,6]	C[5a,6]	N[6,6]	3:3:4:	3:3:3:	3:4:3:	C[5a,6]-3:N[6,6]-3:C[6]-4:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H)	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,4|C<3>,5|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]C[6])(N[5a]C[5a,6a]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	N[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,1|O<2>,2|C<3>,4|H<1>}	115.7080	0.000	1	115.7080	0.000	1	115.7080	0.000	1	115.7080	0.000	1	115.7532	1.023	8	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|Br<1>,1|B<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H){1|Br<1>,1|B<4>,2|F<1>,2|N<3>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	125.4090	0.000	1	124.9435	0.433	2	125.7692	0.275	12	125.7692	0.275	12	125.9082	0.379	14	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|Br<1>,1|B<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H){2|Br<1>,1|B<4>,1|N<3>,2|F<1>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	124.4780	0.000	1	124.9435	0.433	2	125.7692	0.275	12	125.7692	0.275	12	125.9082	0.379	14	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	125.8765	0.301	2	125.8137	0.049	7	125.7692	0.275	12	125.7692	0.275	12	125.9082	0.379	14	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	125.7910	0.099	2	125.8137	0.049	7	125.7692	0.275	12	125.7692	0.275	12	125.9082	0.379	14	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	125.7990	0.429	2	125.8137	0.049	7	125.7692	0.275	12	125.7692	0.275	12	125.9082	0.379	14	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|Se<2>,1|B<4>,1|C<4>,1|N<3>,2|F<1>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	125.7630	0.000	1	125.8137	0.049	7	125.7692	0.275	12	125.7692	0.275	12	125.9082	0.379	14	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	126.3670	0.421	2	126.2160	0.157	3	125.7692	0.275	12	125.7692	0.275	12	125.9082	0.379	14	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	N[6,6]-3:B[6]-4:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|F<1>,2|H<1>}	N[6,6](N[6,6]B[6]C[6])(B[6]N[5a,6]FF)(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	125.9140	0.000	1	126.2160	0.157	3	125.7692	0.275	12	125.7692	0.275	12	125.9082	0.379	14	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6,6]	3:3:1:	3:3:3:	4:3:3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	B[6]-4:N[6,6]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	N[6,6](B[6]N[5a,6]C[6a]2)(N[6,6]B[6]C[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,9|C<3>}	126.7420	0.537	2	126.7420	0.289	2	126.7420	0.289	2	126.7420	0.289	2	125.9082	0.379	14	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]N[6]H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]N[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	119.3220	0.000	1	119.3220	0.000	1	119.3220	0.000	1	113.6167	14.527	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	112.0540	0.000	1	112.0540	0.000	1	112.0540	0.000	1	113.6167	14.527	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]S)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]S){1|C<3>,3|H<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	111.5455	0.087	2	111.5455	0.008	2	111.5455	0.008	2	113.6167	14.527	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|H<1>,1|S<2>}	119.1310	0.000	1	119.1310	0.000	1	119.1310	0.000	1	115.4363	6.135	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	113.9270	0.000	1	114.2047	0.102	3	114.2047	0.102	3	115.4363	6.135	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	114.5540	0.000	1	114.2047	0.102	3	114.2047	0.102	3	115.4363	6.135	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:2:3:	3:3:4:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3)	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5a,6]S)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	114.1330	0.000	1	114.2047	0.102	3	114.2047	0.102	3	115.4363	6.135	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]S)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H){1|S<4>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]S)(C[6]N[6]H){1|O<1>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(O){1|H<1>,1|N<3>,3|C<3>}	118.1560	0.000	1	118.1560	0.000	1	118.1560	0.000	1	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H)	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.7750	0.000	1	117.7750	0.000	1	117.7750	0.000	1	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|O<1>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	115.1410	0.000	1	115.1410	0.000	1	114.6590	3.623	6	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){2|C<3>,2|H<1>}	115.0095	0.330	2	115.0095	0.109	2	114.6590	3.623	6	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]O){1|C<3>,3|H<1>}	N[6](C[6]C[5a,6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	110.9100	0.000	1	110.9100	0.000	1	114.6590	3.623	6	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|H<1>,1|N<2>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	115.6420	0.000	1	115.9420	0.180	2	114.6590	3.623	6	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|H<1>,1|O<1>,2|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	116.2420	0.000	1	115.9420	0.180	2	114.6590	3.623	6	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O){1|Pt<4>,1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|N<3>}	110.8540	0.000	1	110.8540	0.000	1	111.0670	0.091	2	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|H<1>,3|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]O){1|C<3>,4|H<1>}	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	111.2800	0.000	1	111.2800	0.000	1	111.0670	0.091	2	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]O)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]O){1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]O)(H){1|H<1>,1|N<3>,3|C<3>}	115.6340	0.479	2	115.6340	0.230	2	115.6340	0.230	2	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(S){1|N<3>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){2|C<3>}	111.1240	0.000	1	111.1240	0.000	1	111.1240	0.000	1	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S){1|C<3>,3|H<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	109.2050	0.000	1	109.0497	0.420	3	109.0497	0.420	3	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	108.9720	0.897	2	109.0497	0.420	3	109.0497	0.420	3	113.4725	10.219	16	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:2:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:N-2:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]N)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H)	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H){1|N<2>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]H)(C[6]C[6]C)(NS){3|C<3>}	119.9010	0.000	1	119.9010	0.000	1	119.9010	0.000	1	119.9010	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H)	N[6](C[6]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H){1|C<4>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H){5|C<3>}	N[6](C[6]C[6a]C[6])(C[6]C[5a,6]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,6|C<3>}	118.0990	0.000	1	118.0990	0.000	1	118.0990	0.000	1	118.0990	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]C)(H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]C)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)(CC[6a]HH){1|H<1>,4|C<3>}	121.4700	0.000	1	121.4700	0.000	1	121.4700	0.000	1	114.7883	13.179	7	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|N<3>,1|O<1>}	114.8070	0.000	1	114.8070	0.000	1	112.5380	10.297	2	114.7883	13.179	7	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]N[6]Rh)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|Rh<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[5a,6]O)(C[6]N[6]Rh)(CH3){1|C<3>,1|C<4>,1|N<3>}	110.2690	0.000	1	110.2690	0.000	1	112.5380	10.297	2	114.7883	13.179	7	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	N[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,3|C<3>,4|H<1>}	112.5300	0.000	1	112.5300	0.000	1	112.5300	0.000	1	114.7883	13.179	7	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	116.0300	0.171	2	116.0300	0.029	2	116.0300	0.029	2	114.7883	13.179	7	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:3:4:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(S){1|N<3>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S){1|C<3>,2|C<4>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(CC[6a]HH){2|C<3>}	112.3820	0.000	1	112.3820	0.000	1	112.3820	0.000	1	114.7883	13.179	7	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	113.3620	0.280	2	113.3620	0.078	2	113.3620	0.078	2	115.0114	1.159	8	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(H){1|N<3>,2|C<3>}	115.5830	0.000	1	115.5830	0.000	1	115.5612	0.156	6	115.0114	1.159	8	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	115.2973	0.367	3	115.5568	0.195	5	115.5612	0.156	6	115.0114	1.159	8	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){2|C<4>,4|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	115.9460	0.078	2	115.5568	0.195	5	115.5612	0.156	6	115.0114	1.159	8	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:4:2:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-4:C-2:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CN)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CN){1|C<4>,1|H<1>,2|C<3>}	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	113.2200	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:4:3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]O){1|C<3>,1|N<3>,2|H<1>}	113.1175	0.196	2	113.1175	0.038	2	113.1175	0.038	2	113.1175	0.038	2	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:4:4:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CH3){1|C<3>,1|N<3>,2|H<1>}	115.7250	0.000	1	115.7250	0.000	1	115.5855	0.039	2	115.5857	0.019	3	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:4:4:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CCHH){1|C<3>,1|N<3>,2|H<1>}	115.4460	0.000	1	115.4460	0.000	1	115.5855	0.039	2	115.5857	0.019	3	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:4:4:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:S-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(SC[6a]OO)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]O)(C[6]C[6]CH)(SC[6a]OO){1|C<3>,1|N<3>,2|H<1>}	115.5860	0.000	1	115.5860	0.000	1	115.5860	0.000	1	115.5857	0.019	3	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	4:3:1:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	115.7677	0.286	3	115.6940	0.076	4	115.6940	0.076	4	115.4364	0.389	5	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	4:3:1:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){2|Br<1>,2|C<4>,2|H<1>}	N[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[5a,6]O)(H){1|C<3>,2|C<4>,2|H<1>,2|N<3>}	115.4730	0.000	1	115.6940	0.076	4	115.6940	0.076	4	115.4364	0.389	5	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	4:3:1:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O)	C[5a,6](N[5a,6]N[6,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]N[6,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6,6]C[6,6a]N[6,6]H)(C[6]C[5a,6]O)(H){1|N<3>,4|C<3>}	114.4060	0.000	1	114.4060	0.000	1	114.4060	0.000	1	115.4364	0.389	5	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O)	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O){1|C<4>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O){1|C<4>,3|H<1>,4|C<3>}	N[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[5a,6]O)(COO){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	115.6900	0.000	1	115.6900	0.000	1	115.6900	0.000	1	116.2267	0.848	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	115.4540	0.000	1	115.4540	0.000	1	116.4057	1.081	3	116.2267	0.848	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	4:3:3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-4:C[6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(C[6a]C[6a]2){1|N<3>,3|H<1>,6|C<3>}	116.8815	0.896	2	116.8815	0.803	2	116.4057	1.081	3	116.2267	0.848	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	4:3:4:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]O)(CCHH){1|H<1>,1|N<3>,4|C<3>}	116.5170	1.111	3	116.5170	1.235	3	116.5170	1.235	3	116.5170	1.235	3	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:2:3:	3:2:1:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(N[6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,3|H<1>}	N[6](C[6]C[5a,6]N)(N[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>}	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	113.6020	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:2:3:	3:2:4:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(N[6]C[6])(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a]){1|C<3>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,1|N<2>,2|C<3>}	N[6](C[6]C[5a,6]N)(N[6]C[6])(CH3){1|N<2>,2|C<3>}	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	110.9490	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	114.2730	0.000	1	113.6425	0.795	2	113.6425	0.795	2	113.0885	0.677	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pt<4>,1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	113.0120	0.000	1	113.6425	0.795	2	113.6425	0.795	2	113.0885	0.677	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:O-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(OCa)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(OCa){1|C<3>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5a,6]O)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	112.5345	0.088	2	112.5345	0.008	2	112.5345	0.008	2	113.0885	0.677	4	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:2:3:	3:3:4:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH){1|H<1>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N){1|C<3>,2|C<4>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	109.7123	0.126	3	109.7123	0.016	3	109.6380	0.046	5	109.6380	0.046	5	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:2:3:	3:3:4:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH){1|H<1>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N){1|C<3>,2|C<4>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CC[6a]HH){1|C<3>,1|N<2>}	109.5265	0.332	2	109.5265	0.110	2	109.6380	0.046	5	109.6380	0.046	5	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:2:1:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(N[6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[5a,6]N)(N[6]C[6])(H){1|C<3>,2|N<3>}	113.1650	0.000	1	113.1650	0.000	1	113.1650	0.000	1	113.1650	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	110.3400	0.000	1	110.3400	0.000	1	110.3400	0.000	1	114.8140	3.664	9	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN){1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,4|C<3>}	115.5405	0.446	6	115.5405	0.199	6	115.5405	0.199	6	114.8140	3.664	9	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]N)(H){1|H<1>,1|N<3>,3|C<3>}	116.4720	0.000	1	116.4720	0.000	1	116.4720	0.000	1	114.8140	3.664	9	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:S-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SRu)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Ru)(C[6]N[6]S)	N[6](C[6]C[5a,6]S)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SRu){1|C<3>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Ru)(C[6]N[6]S){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	113.2710	0.000	1	113.2710	0.000	1	113.2710	0.000	1	114.8140	3.664	9	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:3:3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]S)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]S)(C[6]N[6]N){3|C<3>}	N[6](C[6]C[5a,6]N)(C[6a]C[6a]2)(C[6]N[6]O){2|H<1>,4|C<3>}	110.6120	0.168	2	110.6120	0.028	2	110.6120	0.028	2	110.6120	0.028	2	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:N[6]-3:O-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OIr)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Ir)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OIr){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Ir)(C[6]N[6]O){1|C<3>,1|I<1>,2|C<4>}	N[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	113.3995	0.155	2	113.4143	0.013	3	113.4143	0.013	3	113.4143	0.013	3	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:3:4:	C[5a,6]-3:N[6]-3:O-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OIr)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Ir)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(OIr){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Ir)(C[6]N[6]O){1|Cl<1>,1|C<3>,2|C<4>}	N[6](C[6]C[5a,6]O)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	113.4440	0.000	1	113.4143	0.013	3	113.4143	0.013	3	113.4143	0.013	3	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	113.5300	0.061	2	113.5300	0.004	2	113.6787	0.397	48	113.6755	0.389	49	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	113.7143	0.408	17	113.6997	0.312	43	113.6787	0.397	48	113.6755	0.389	49	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	113.6901	0.646	26	113.6997	0.312	43	113.6787	0.397	48	113.6755	0.389	49	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H){1|C<3>,1|N<2>}	114.4050	0.450	2	114.4050	0.202	2	113.6787	0.397	48	113.6755	0.389	49	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NPtH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NPtH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	111.6200	0.000	1	111.6200	0.000	1	113.6787	0.397	48	113.6755	0.389	49	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){1|N<3>,1|O<2>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N){1|C<3>,1|O<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(O){1|C<3>,1|N<2>}	113.5230	0.000	1	113.5230	0.000	1	113.5230	0.000	1	113.6755	0.389	49	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:2:3:	3:3:2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){2|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<2>}	112.4350	0.000	1	112.4350	0.000	1	112.4350	0.000	1	112.4350	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:2:3:	3:3:4:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(CCHH){1|C<3>,1|N<2>}	114.1987	0.100	3	114.1987	0.010	3	114.1987	0.010	3	114.1987	0.010	3	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:2:3:	3:4:1:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C)	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)(H){1|C<3>,1|N<2>}	115.6420	0.000	1	115.6420	0.000	1	115.6420	0.000	1	115.6420	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(COO)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]C)	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]C){1|C<3>,4|H<1>}	N[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	117.6860	0.000	1	117.6860	0.000	1	117.6860	0.000	1	112.9868	1.988	17	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	111.8200	0.000	1	111.8200	0.000	1	112.6517	0.567	15	112.9868	1.988	17	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(H){1|C<3>,1|N<3>}	113.1180	0.000	1	113.1180	0.000	1	112.6517	0.567	15	112.9868	1.988	17	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	112.4243	0.485	11	112.4243	0.235	11	112.6517	0.567	15	112.9868	1.988	17	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	114.0850	0.058	2	114.0850	0.003	2	112.6517	0.567	15	112.9868	1.988	17	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:S-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SCu2)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Cu)(C[6]N[6]S)	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(SCu2){1|C<3>,1|H<1>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Cu)(C[6]N[6]S){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]S)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	113.3140	0.000	1	113.3140	0.000	1	113.3140	0.000	1	112.9868	1.988	17	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:3:3:	3:3:2:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N)(OH){1|C<3>,1|N<3>}	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	112.3780	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]C[6]CH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]N)(C[6]C[6]CH)(H){1|C<3>,1|N<3>,2|H<1>}	115.4140	0.000	1	115.4140	0.000	1	115.4140	0.000	1	115.4140	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:3:	3:3:3:	3:4:3:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(CCO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(CCO){1|C<3>,1|N<3>,2|H<1>}	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	110.7750	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]C)	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]O)(CH3){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]N[6]C){1|O<1>,1|P<4>,3|C<3>}	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|O<2>,1|P<4>}	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	115.6760	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:	3:3:3:	3:2:1:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C)	N[6](C[6]C[5a,6]C)(N[6]C[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]N[6]C){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	N[6](C[6]C[5a,6]C)(N[6]C[6])(H){1|C<4>,2|C<3>}	115.9020	0.000	1	115.9020	0.000	1	115.9020	0.000	1	115.9020	0.000	1	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]N[6]C)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]H)(CN[5a]HH){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]N[6]C){2|C<3>,3|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C)(H){1|H<1>,1|N<3>,3|C<3>}	118.2010	0.000	1	118.2010	0.000	1	118.2010	0.000	1	118.8980	0.972	2	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:C-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]C)	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]O)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]C){1|H<1>,1|O<1>,3|C<3>}	N[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	119.5950	0.000	1	119.5950	0.000	1	119.5950	0.000	1	118.8980	0.972	2	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:4:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:C-4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,3|H<1>}	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)(H){1|C<3>,1|N<3>,2|H<1>}	117.3650	0.300	2	117.3650	0.090	2	117.3650	0.090	2	117.3650	0.090	2	113.9909	4.799	165	114.9653	14.112	188
762	727	856	6:SP2_SP2_SP3	C[6]	C[5a,6]	N[6]	3:3:1:	3:3:3:	3:4:4:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]3)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O){1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|H<1>,3|C<4>}	N[6](C[6]C[5a,6]O)(C[6]C[6]HH)(CC[6a]3){3|C<3>}	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1	115.0120	0.000	1
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:2:3:	3:	C[5a,6]-3:N[6]-2:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	O(C[6]C[5a,6]N[6])	128.6617	1.283	3	125.9661	3.961	11	125.9661	3.961	11	125.9661	3.961	11	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:2:3:	3:	C[5a,6]-3:N[6]-2:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O){1|C<3>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|H<1>}	O(C[6]C[5a,6]N[6])	124.9553	0.952	8	125.9661	3.961	11	125.9661	3.961	11	125.9661	3.961	11	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]O[6]O)	O(C[6]C[5a,6]O[6])	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]O[6]O){1|C<3>,3|C<4>}	O(C[6]C[5a,6]O[6])	126.3910	0.000	1	126.7060	0.198	2	126.7060	0.198	2	125.6959	2.275	14	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]O[6]O)	O(C[6]C[5a,6]O[6])	C[6](C[5a,6]C[5a,6,6]C[5a])(O[6]C[6])(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]O[6]O){2|C<3>,2|C<4>}	O(C[6]C[5a,6]O[6])	127.0210	0.000	1	126.7060	0.198	2	126.7060	0.198	2	125.6959	2.275	14	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O)	O(C[6]C[5a,6]O[6])	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]O[6])	128.5930	0.000	1	128.5930	0.000	1	125.3692	3.707	5	125.6959	2.275	14	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]S[5a])(C[6]O[6]O)	O(C[6]C[5a,6]O[6])	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|C<3>,1|C<4>,1|N<2>,1|S<2>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]S[5a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]O[6])	124.7230	0.000	1	124.7230	0.000	1	125.3692	3.707	5	125.6959	2.275	14	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]S)(C[6]O[6]O)	O(C[6]C[5a,6]O[6])	C[6](C[5a,6]C[5a,6]C[5a])(O[6]C[6])(O){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]S)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5a,6]O[6])	124.5100	0.950	3	124.5100	0.902	3	125.3692	3.707	5	125.6959	2.275	14	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	O(C[6]C[5a,6]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,3|C<3>}	O(C[6]C[5a,6]O[6])	125.9360	0.000	1	126.8150	1.541	3	126.5250	1.364	4	125.6959	2.275	14	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	O(C[6]C[5a,6]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]O[6])	128.2350	0.000	1	126.8150	1.541	3	126.5250	1.364	4	125.6959	2.275	14	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O)	O(C[6]C[5a,6]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){3|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]O[6]O){1|C<4>,3|C<3>}	O(C[6]C[5a,6]O[6])	126.2740	0.000	1	126.8150	1.541	3	126.5250	1.364	4	125.6959	2.275	14	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[6]-2:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]O[6]O)	O(C[6]C[5a,6]O[6])	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>,2|N<2>}	O(C[6]C[5a,6]O[6])	125.6550	0.000	1	125.6550	0.000	1	126.5250	1.364	4	125.6959	2.275	14	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[6]-2:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]O[6]O)	O(C[6]C[5a,6]O[6])	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]O[6])	123.9900	0.000	1	123.9900	0.000	1	124.4617	0.279	3	125.6959	2.275	14	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[6]-2:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]O)	O(C[6]C[5a,6]O[6])	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O){3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]O[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5a,6]O[6])	124.3620	0.000	1	124.3620	0.000	1	124.4617	0.279	3	125.6959	2.275	14	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:2:1:	3:3:3:	3:	C[5a,6]-3:O[6]-2:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O)	O(C[6]C[5a,6]O[6])	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]O[6])	125.0330	0.000	1	125.0330	0.000	1	124.4617	0.279	3	125.6959	2.275	14	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.7463	0.340	3	122.4855	0.349	4	122.4855	0.349	4	121.7388	9.150	26	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.7030	0.000	1	122.4855	0.349	4	122.4855	0.349	4	121.7388	9.150	26	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O){1|N<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	O(C[6]C[5a,6]C[6])	124.2990	0.000	1	124.9043	0.280	3	124.2460	0.687	6	121.7388	9.150	26	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]O)(O){1|N<2>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(N[5a]C[5a])(C[6]C[6]O){1|Si<4>,1|C<3>,1|O<1>,1|S<2>}	O(C[6]C[5a,6]C[6])	125.2070	0.102	2	124.9043	0.280	3	124.2460	0.687	6	121.7388	9.150	26	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]2)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]2)(O){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]C[6])	124.0150	0.000	1	124.0150	0.000	1	124.2460	0.687	6	121.7388	9.150	26	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O){1|C<4>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]C[6])	123.4120	0.000	1	123.4120	0.000	1	124.2460	0.687	6	121.7388	9.150	26	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]C[6])	123.3360	0.000	1	123.3360	0.000	1	124.2460	0.687	6	121.7388	9.150	26	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]C[5a])(S[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]O)(O){1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(S[5a]C[5a])(C[6]C[6]O){1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6])	124.4903	0.306	4	124.4903	0.094	4	120.6119	10.933	16	121.7388	9.150	26	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]C[5a])(S[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6,6a]O)(O){4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(S[5a]C[5a])(C[6]C[6]O){1|O<1>,1|S<2>,3|C<3>}	O(C[6]C[5a,6]C[6])	123.9270	0.000	1	123.9270	0.000	1	120.6119	10.933	16	121.7388	9.150	26	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O){1|C<4>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	O(C[6]C[5a,6]C[6])	118.4003	0.597	7	118.1953	0.631	10	120.6119	10.933	16	121.7388	9.150	26	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(O){1|C<4>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	O(C[6]C[5a,6]C[6])	117.7170	1.131	3	118.1953	0.631	10	120.6119	10.933	16	121.7388	9.150	26	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(O){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	O(C[6]C[5a,6]C[6])	125.9490	0.000	1	125.9490	0.000	1	120.6119	10.933	16	121.7388	9.150	26	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])2(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	O(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6]N[5a])2(O){1|C<3>,2|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	O(C[6]C[5a,6]2)	125.1170	1.882	2	124.6168	0.474	12	124.5297	0.533	13	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])2(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a])	O(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6]N[5a])2(O){1|C<3>,2|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)(N[5a]N[5a]){1|N<2>,1|O<1>,2|C<3>}	O(C[6]C[5a,6]2)	124.5167	0.344	10	124.6168	0.474	12	124.5297	0.533	13	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[6]C[5a,6]O)(N[5a]C[5a,6])	O(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|N<2>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[6]C[5a,6]O)(N[5a]C[5a,6]){1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]2)	123.4850	0.000	1	123.4850	0.000	1	124.5297	0.533	13	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a])	O(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a]){1|H<1>,1|I<1>,1|O<1>,2|C<3>}	O(C[6]C[5a,6]2)	122.8910	0.000	1	122.9215	0.002	2	122.9215	0.002	2	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a])	O(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(S[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]2)	122.9520	0.000	1	122.9215	0.002	2	122.9215	0.002	2	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a]){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5a,6]C[6,6])	123.5780	0.000	1	123.5780	0.000	1	123.5780	0.000	1	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[5a,6]C[6,6a])	124.3595	1.036	4	124.5692	0.830	6	124.6963	0.517	11	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[5,6a]C[6,6a])(O){2|C<4>,4|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	124.9885	0.637	2	124.5692	0.830	6	124.6963	0.517	11	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<3>,3|C<4>}	O(C[6]C[5a,6]C[6,6a])	125.0385	0.167	4	124.8488	0.201	5	124.6963	0.517	11	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,4|C<3>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|H<1>,2|C<4>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	124.0900	0.000	1	124.8488	0.201	5	124.6963	0.517	11	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|Fe<6>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.3692	0.573	5	123.2535	0.226	8	123.1323	0.935	19	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]C[6,6a])	123.0607	0.216	3	123.2535	0.226	8	123.1323	0.935	19	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.1630	0.000	1	122.5020	0.874	2	123.1323	0.935	19	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|N<2>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|C<4>,1|O<1>,2|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.8410	0.000	1	122.5020	0.874	2	123.1323	0.935	19	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]S[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]S[5a]){1|O<1>,2|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.5256	0.191	7	122.5256	0.036	7	123.1323	0.935	19	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]N[6a])(O){1|N<3>,2|C<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]){1|C<3>,1|H<1>,1|N<2>,1|O<1>}	O(C[6]C[5a,6]C[6,6a])	125.4010	0.611	2	125.4010	0.373	2	123.1323	0.935	19	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[6,6a]O)(O[5a]C[5a,6])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[6]C[6,6a]O)(O[5a]C[5a,6]){1|C<4>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.9840	0.000	1	122.9840	0.000	1	124.3635	2.845	4	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.9220	0.000	1	123.8250	0.019	2	124.3635	2.845	4	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.7280	0.000	1	123.8250	0.019	2	124.3635	2.845	4	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]O[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6a]C[6,6a]O[6a])(O){5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<3>,1|O<1>,1|O<2>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	126.8200	0.000	1	126.8200	0.000	1	124.3635	2.845	4	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(S[5a]C[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(S[5a]C[5a]){1|O<1>,1|S<2>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.5340	0.018	2	121.5340	0.000	2	121.5340	0.000	2	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]){1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]C[6,6a])	121.4860	0.000	1	121.4860	0.000	1	121.4860	0.000	1	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[5a,6]-3:N[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(O)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]N[5a,6]O)(N[5a]C[5a])	O(C[6]C[5a,6]N[5a,6])	C[6](C[5a,6]C[5a,6]N[5a])(N[5a,6]C[5a,6]C[5a])(O){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]N[5a,6]O)(N[5a]C[5a]){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]N[5a,6])	129.2390	0.000	1	129.2390	0.000	1	129.2390	0.000	1	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:2:	3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[5a,6]C[5a,6]O[5a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[6,6a])	C[6](C[6,6a]C[6,6,6a]C[6,6a])(C[5a,6]C[5a,6]O[5a])(O){1|C<4>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(O[5a]C[5a]){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.1300	0.432	5	122.1300	0.186	5	122.1300	0.186	5	123.7521	2.134	59	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	O(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|O<1>,1|S<2>}	O(C[6]C[5a,6]2)	123.0700	0.000	1	122.9065	0.053	2	122.9065	0.053	2	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	O(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[5a,6]C[5a,6]S[5a])(O){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|I<1>,1|O<1>,1|S<2>}	O(C[6]C[5a,6]2)	122.7430	0.000	1	122.9065	0.053	2	122.9065	0.053	2	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])2(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O)	O(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6]N[5a])2(O){3|C<3>,4|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[5a,6]O){1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]2)	125.4746	0.586	10	125.4746	0.343	10	125.2872	0.695	11	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O)	O(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|C<4>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[5a,6]O){1|O<1>,4|C<3>}	O(C[6]C[5a,6]2)	123.4130	0.000	1	123.4130	0.000	1	125.2872	0.695	11	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	O(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|C<4>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]2)	123.3290	0.000	1	123.3290	0.000	1	123.3290	0.000	1	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	O(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(O){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,4|H<1>}	O(C[6]C[5a,6]2)	122.3060	0.296	4	122.3060	0.088	4	122.3060	0.088	4	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:O-1:	N[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O)	O(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[5a,6]C[5a,6]N[5a])(O){1|N<2>,1|N<3>,4|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5a,6]O){1|H<1>,1|N<2>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]2)	125.3650	0.000	1	125.3650	0.000	1	125.3650	0.000	1	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O)	O(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>,3|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	O(C[6]C[5a,6]C[6,6])	121.4250	0.000	1	121.0750	0.245	2	122.1175	1.802	4	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O)	O(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|N<2>,3|C<4>,3|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]N[5a]O)(C[6]C[6,6]O){1|C<3>,1|C<4>,1|H<1>,1|N<4>}	O(C[6]C[5a,6]C[6,6])	120.7250	0.000	1	121.0750	0.245	2	122.1175	1.802	4	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]S[6])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O)	O(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]S[6])(O){1|C<4>,2|N<3>,2|O<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6,6]O){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	O(C[6]C[5a,6]C[6,6])	123.1600	0.902	2	123.1600	0.814	2	122.1175	1.802	4	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(N[5a]C[5a]H)	O(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(O){1|S<4>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(N[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5a,6]C[6,6])	126.9495	0.264	2	126.9495	0.070	2	126.9495	0.070	2	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a]N[5a,6]C)(C[6]C[6,6a]O){1|O<1>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]C[6,6a])	123.5910	0.000	1	123.5910	0.000	1	122.9969	0.563	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	124.0360	0.000	1	123.0674	0.725	5	122.9969	0.563	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.8253	0.759	4	123.0674	0.725	5	122.9969	0.563	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.1490	0.000	1	122.1490	0.000	1	122.9969	0.563	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O){2|C<4>,6|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.4490	0.000	1	123.4490	0.000	1	122.9969	0.563	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.4460	0.000	1	122.4460	0.000	1	122.9969	0.563	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]N[5a]C)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]N[5a]C){1|C<4>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.9275	0.617	2	122.9275	0.381	2	122.1455	0.718	21	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]O[5a]C)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]O[5a]C){2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.2470	0.000	1	123.2470	0.000	1	122.1455	0.718	21	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|C<4>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.5630	0.000	1	122.6327	0.654	3	122.1455	0.718	21	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.1675	0.097	2	122.6327	0.654	3	122.1455	0.718	21	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|N<3>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|Ni<4>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.0290	0.475	2	122.0290	0.226	2	122.1455	0.718	21	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]N)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]N){1|Ni<4>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.7967	0.493	3	122.7967	0.243	3	122.1455	0.718	21	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]S)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]S){1|H<1>,1|O<1>,1|S<4>,2|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.1350	0.000	1	123.1350	0.000	1	122.1455	0.718	21	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.0450	0.000	1	121.3813	0.205	7	122.1455	0.718	21	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|O<2>,4|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){1|C<4>,1|O<1>,2|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.4373	0.469	6	121.3813	0.205	7	122.1455	0.718	21	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|S<2>,5|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]C){1|O<1>,1|S<2>,2|C<3>}	O(C[6]C[5a,6]C[6,6a])	121.4015	0.330	2	121.4015	0.109	2	122.1455	0.718	21	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]H){1|O<1>,1|S<2>,1|S<4>,2|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.3890	0.000	1	122.3890	0.000	1	124.0334	1.510	12	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]B[5a]H){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.4160	0.020	2	122.4160	0.000	2	124.0334	1.510	12	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]C){1|C<4>,1|O<1>,2|C<3>}	O(C[6]C[5a,6]C[6,6a])	124.3270	0.455	3	124.3270	0.207	3	124.0334	1.510	12	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]Fe)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|Fe<6>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]C[5a]Fe){1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	125.0824	0.486	5	125.0824	0.237	5	124.0334	1.510	12	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,2|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)(N[5a]N[5a]C){1|O<1>,2|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.7870	0.000	1	122.7870	0.000	1	124.0334	1.510	12	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]C[6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,5|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.5540	0.126	2	123.5540	0.016	2	123.8655	0.194	6	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|C<4>,1|O<1>,5|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.4780	0.000	1	123.8543	0.164	3	123.8655	0.194	6	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	O(C[6]C[5a,6]C[6,6a])	124.0425	0.340	2	123.8543	0.164	3	123.8655	0.194	6	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|N<2>,4|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[6a]N[5a])(C[6]C[6,6a]O){1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	124.5220	0.000	1	124.5220	0.000	1	123.8655	0.194	6	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.3820	0.000	1	123.3820	0.000	1	122.5487	0.397	4	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){1|O<1>,5|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.2710	0.364	3	122.2710	0.132	3	122.5487	0.397	4	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	120.3615	0.243	2	120.3430	0.030	3	120.3430	0.030	3	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<2>,5|C<3>}	O(C[6]C[5a,6]C[6,6a])	120.3060	0.000	1	120.3430	0.030	3	120.3430	0.030	3	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.6792	0.514	4	123.6792	0.265	4	123.6998	0.201	5	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]N[6a])(O)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6,6a]C[6,6a]N[6a])(O){6|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.7820	0.000	1	123.7820	0.000	1	123.6998	0.201	5	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(O){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]H){2|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6,6a])	121.4640	0.000	1	121.4640	0.000	1	121.4640	0.000	1	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6a]-3:O-1:	N[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]N[5a,6a]C[5a,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,5|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.7270	0.000	1	123.7270	0.000	1	123.7270	0.000	1	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Br<1>,1|C<3>,1|O<1>,1|S<2>}	O(C[6]C[5a,6]C[6])	123.8270	0.952	2	123.9533	0.194	12	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|F<1>,1|O<1>,1|S<2>}	O(C[6]C[5a,6]C[6])	123.7660	0.107	2	123.9533	0.194	12	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|I<1>,1|O<1>,1|S<2>}	O(C[6]C[5a,6]C[6])	124.4675	0.644	2	123.9533	0.194	12	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|O<1>,1|S<2>}	O(C[6]C[5a,6]C[6])	123.8740	0.361	2	123.9533	0.194	12	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|O<1>,1|S<2>,2|C<3>}	O(C[6]C[5a,6]C[6])	123.8565	0.076	2	123.9533	0.194	12	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[5a,6]O)(O){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|Si<4>,1|C<3>,1|O<1>,1|S<2>}	O(C[6]C[5a,6]C[6])	123.9290	0.013	2	123.9533	0.194	12	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[5a]H)(C[6]C[6]O){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6])	126.1310	0.000	1	126.1310	0.000	1	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5a,6]C[6])	125.9194	0.520	5	125.9422	0.220	6	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6])	126.0560	0.000	1	125.9422	0.220	6	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6])	126.1340	0.000	1	126.3050	0.044	4	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]O)(O){1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|O<1>,5|C<3>}	O(C[6]C[5a,6]C[6])	126.3620	0.216	3	126.3050	0.044	4	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5a,6]C[6])	123.1180	0.000	1	123.1180	0.000	1	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>}	O(C[6]C[5a,6]C[6])	120.7230	0.000	1	120.7230	0.000	1	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]N[5a])(C[5a]N[5a]C)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6])	124.1980	0.000	1	124.1980	0.000	1	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	O(C[6]C[5a,6]C[6])	124.2855	0.021	2	123.8370	0.604	3	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	O(C[6]C[5a,6]C[6])	122.9400	0.000	1	123.8370	0.604	3	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]O)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|O<1>}	O(C[6]C[5a,6]C[6])	126.3480	0.000	1	126.3480	0.000	1	124.6781	1.944	30	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]O)(O)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6,6a]O)(O){1|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6])	125.6490	0.000	1	125.6490	0.000	1	123.9849	3.620	17	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Br)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Br)(O){1|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|Br<1>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6])	124.8110	0.000	1	124.8110	0.000	1	123.9849	3.620	17	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6])	123.8580	0.000	1	123.8580	0.000	1	123.9849	3.620	17	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6])	121.7146	0.100	5	121.7146	0.010	5	123.9849	3.620	17	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[5a,6]C[6])	126.6030	0.000	1	126.6030	0.000	1	123.9849	3.620	17	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|H<1>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){1|H<1>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6])	123.8280	0.000	1	123.8280	0.000	1	123.9849	3.620	17	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	O(C[6]C[5a,6]C[6])	124.6560	0.283	3	124.6560	0.080	3	123.9849	3.620	17	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5a,6]C[6])	126.2090	0.000	1	126.2090	0.000	1	123.9849	3.620	17	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]S)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O){1|H<1>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]S)(C[6]C[6]O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	O(C[6]C[5a,6]C[6])	125.3620	0.000	1	125.3620	0.000	1	123.9849	3.620	17	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Pd)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Pd)(O){1|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|Pd<4>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6])	121.8920	0.000	1	121.8920	0.000	1	123.9849	3.620	17	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]O)(O){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	O(C[6]C[5a,6]C[6])	126.9900	0.000	1	126.9900	0.000	1	123.9849	3.620	17	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O){1|H<1>,2|C<4>,2|S<2>,3|C<3>}	O(C[6]C[5a,6]C[6])	122.3130	0.000	1	122.3130	0.000	1	122.4528	1.411	5	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|Br<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6])	122.8040	0.000	1	121.6580	2.627	2	122.4528	1.411	5	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|Pd<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	O(C[6]C[5a,6]C[6])	120.5120	0.000	1	121.6580	2.627	2	122.4528	1.411	5	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<1>,1|S<4>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6])	122.9720	0.000	1	122.9720	0.000	1	122.4528	1.411	5	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(O){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	O(C[6]C[5a,6]C[6])	123.6630	0.000	1	123.6630	0.000	1	122.4528	1.411	5	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:O-1:	N[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(O)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(O){1|C<4>,1|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	O(C[6]C[5a,6]C[6])	124.5280	0.000	1	124.5280	0.000	1	124.5280	0.000	1	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5,6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	O(C[6]C[5a,6]N[5,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|N<3>,2|C<4>}	O(C[6]C[5a,6]N[5,6])	121.6540	0.000	2	121.4183	0.167	3	121.8098	0.312	6	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5,6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	O(C[6]C[5a,6]N[5,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,5,6]C[5])(O){1|N<2>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|O<2>,2|C<4>}	O(C[6]C[5a,6]N[5,6])	120.9470	0.000	1	121.4183	0.167	3	121.8098	0.312	6	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5,6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O)	O(C[6]C[5a,6]N[5,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|C<4>,1|N<2>,2|C<3>}	O(C[6]C[5a,6]N[5,6])	122.3985	0.268	2	122.3985	0.072	2	121.8098	0.312	6	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5,6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[5,6]O)	O(C[6]C[5a,6]N[5,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]C[5,6]C[5])(O){1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[5,6]O){2|Br<1>,1|H<1>,1|N<2>,2|C<4>}	O(C[6]C[5a,6]N[5,6])	121.8070	0.000	1	121.8070	0.000	1	121.8098	0.312	6	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(O){1|N<3>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|H<1>,3|C<4>}	O(C[6]C[5a,6]N[6])	121.7010	0.000	1	121.7010	0.000	1	124.9686	5.957	7	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|O<1>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]N[6])	125.0970	0.000	1	125.0970	0.000	1	124.9686	5.957	7	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|N<2>,1|O<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]N)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5a,6]N[6])	125.5580	0.440	2	125.5580	0.193	2	124.9686	5.957	7	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|N<2>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]O){1|C<3>,3|H<1>}	O(C[6]C[5a,6]N[6])	129.4760	0.000	1	129.4760	0.000	1	124.9686	5.957	7	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|H<1>,1|N<2>,2|C<3>}	O(C[6]C[5a,6]N[6])	124.2430	0.000	1	123.6950	0.601	2	124.9686	5.957	7	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(O){1|H<1>,1|O<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|H<1>,1|O<1>,2|C<3>}	O(C[6]C[5a,6]N[6])	123.1470	0.000	1	123.6950	0.601	2	124.9686	5.957	7	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]N[6])	123.7780	0.321	2	123.7780	0.103	2	125.5044	5.774	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	O(C[6]C[5a,6]N[6])	124.5110	0.000	1	124.5110	0.000	1	125.5044	5.774	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(O){1|Rh<6>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O){1|C<3>,1|H<1>,2|C<4>}	O(C[6]C[5a,6]N[6])	128.8420	0.000	1	128.8420	0.000	1	125.5044	5.774	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[5a,6]N[6])	123.9225	0.046	2	123.9225	0.002	2	125.5044	5.774	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]O){1|Pt<4>,1|C<3>,2|H<1>}	O(C[6]C[5a,6]N[6])	129.7940	0.000	1	129.7940	0.000	1	125.5044	5.774	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(O){1|C<3>,1|H<1>,3|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]O){1|C<3>,4|H<1>}	O(C[6]C[5a,6]N[6])	127.0110	0.000	1	127.0110	0.000	1	125.5044	5.774	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(O){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[6a]N[5a])(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	O(C[6]C[5a,6]N[6])	123.9810	0.000	1	123.9810	0.000	1	125.5044	5.774	9	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[5,6]C)(O){1|C<4>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O){1|C<4>,3|H<1>,4|C<3>}	O(C[6]C[5a,6]N[6])	121.6010	0.000	1	121.6010	0.000	1	124.2300	13.823	2	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]O){1|C<2>,2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5a,6]N[6])	126.8590	0.000	1	126.8590	0.000	1	124.2300	13.823	2	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	O(C[6]C[5a,6]N[6])	122.8380	0.849	3	122.7190	0.538	4	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[5,6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){2|Br<1>,2|C<4>,2|H<1>}	O(C[6]C[5a,6]N[6])	122.3620	0.000	1	122.7190	0.538	4	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O)	C[5a,6](N[5a,6]N[6,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6]H)(O){1|N<3>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]N[6,6]C[5a])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5a,6]N[6])	121.9970	0.000	1	121.9970	0.000	1	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(O){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(C[5a]C[5a,6a]H)(C[6]N[6]O){1|H<1>,4|C<3>}	O(C[6]C[5a,6]N[6])	122.0415	0.483	2	122.0415	0.233	2	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O){2|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5a,6]N[6])	120.9520	0.000	1	122.1210	1.050	3	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]N[6]O){1|C<4>,1|O<1>,3|C<3>}	O(C[6]C[5a,6]N[6])	122.7055	0.224	2	122.1210	1.050	3	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5a,6]N[6])	121.9440	0.677	3	121.9440	0.458	3	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,2|C<4>,2|H<1>}	O(C[6]C[5a,6]N[6])	121.1000	0.000	1	121.1000	0.000	1	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|Br<1>,2|C<4>,3|H<1>}	O(C[6]C[5a,6]N[6])	122.6227	0.142	3	122.2000	0.240	6	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){2|C<4>,4|H<1>}	O(C[6]C[5a,6]N[6])	121.7265	0.269	2	122.2000	0.240	6	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]H)(O){3|C<3>,3|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5a,6]N[6])	121.8790	0.000	1	122.2000	0.240	6	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6]S)(O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]N[6]O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	O(C[6]C[5a,6]N[6])	123.0110	0.000	1	123.0110	0.000	1	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O)	O(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6a]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]O){1|C<4>,2|C<3>,3|H<1>}	O(C[6]C[5a,6]N[6])	122.4923	0.686	3	122.4923	0.470	3	122.2475	0.455	24	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6,6a]O){2|C<4>,2|O<1>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.4860	0.243	2	123.4860	0.059	2	123.0835	0.245	4	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6,6a]O){2|C<3>,2|C<4>,2|O<1>}	O(C[6]C[5a,6]C[6,6a])	122.7970	0.000	1	122.7970	0.000	1	123.0835	0.245	4	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O)	C[5a,6](C[5a,6]N[5a,6]C[5,6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O)	O(C[6]C[5a,6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[5a,6]C[5a,6]2)(O){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[5,6])(C[5a,6]C[5a]C[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	O(C[6]C[5a,6]C[6,6a])	122.5650	0.000	1	122.5650	0.000	1	123.0835	0.245	4	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:1:	3:3:3:	3:	C[6,6a]-3:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H)	O(C[6]C[5a,6]C[6,6a])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[5a,6]C[5a,6]N[5a])(O){2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(C[6]C[6,6a]O)(N[5a]C[5a]H){1|S<2>,4|C<3>}	O(C[6]C[5a,6]C[6,6a])	123.3887	0.263	3	123.3887	0.069	3	123.3887	0.069	3	123.5269	3.088	195	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:2:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,3|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.3295	0.016	2	123.3295	0.000	2	123.3295	0.000	2	124.1587	1.208	6	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:2:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]BrC)(O)	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]BrC)(O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O){1|Br<1>,1|S<4>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]C[6])	124.5100	0.000	1	124.5100	0.000	1	125.0320	0.726	3	124.1587	1.208	6	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:2:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]ClC)(O)	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]ClC)(O){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(O[5a]C[5a,6a])(C[6]C[6]O){1|Cl<1>,1|S<4>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]C[6])	124.5710	0.000	1	124.5710	0.000	1	125.0320	0.726	3	124.1587	1.208	6	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:2:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a]O[6])(O[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]O[6])(O[5a]C[5a])(C[6]C[6]O){1|C<3>,1|C<4>,3|H<1>}	O(C[6]C[5a,6]C[6])	126.0150	0.000	1	126.0150	0.000	1	125.0320	0.726	3	124.1587	1.208	6	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:2:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.1970	0.000	1	123.1970	0.000	1	123.1970	0.000	1	124.1587	1.208	6	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:2:	3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]C[5,6]C[5]H)(O){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,3|C<4>,3|H<1>}	O(C[6]C[5a,6]C[5,6])	123.5680	0.000	1	123.5680	0.000	1	125.1680	1.302	4	124.7152	1.284	6	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:2:	3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[5a,6]C[5,6])	125.4555	0.361	2	125.4555	0.131	2	125.1680	1.302	4	124.7152	1.284	6	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:2:	3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]O[5a])(C[5,6]O[5,6]C[5]C)(O){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5a,6]C[5,6])	126.1930	0.000	1	126.1930	0.000	1	125.1680	1.302	4	124.7152	1.284	6	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:2:	3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(S[5a]C[5a])	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]S[5a])(C[5,6]N[5,6]C[5]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[5,6]O)(S[5a]C[5a]){1|C<4>,1|N<3>,5|H<1>}	O(C[6]C[5a,6]C[5,6])	123.9700	0.000	1	123.9700	0.000	1	123.9700	0.000	1	124.7152	1.284	6	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:2:	3:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(O){2|C<4>,3|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]O)(O[5a]C[5a]){3|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6,6])	123.6490	0.000	1	123.6490	0.000	1	123.6490	0.000	1	124.7152	1.284	6	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[3,6]-4:O-1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[3,6]C[3,6]O[3]H)(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[3,6]O)	O(C[6]C[5a,6]C[3,6])	C[6](C[5a,6]C[5a,6,6]C[5a])(C[3,6]C[3,6]O[3]H)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[3,6]O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]C[3,6])	126.0950	0.000	1	126.0950	0.000	1	126.0950	0.000	1	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[3x6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]O)	O(C[6]C[5a,6]C[3x6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[3x6]C[6,6]N[4x6]H)(O){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[3x6]N[5a])(C[6]C[3x6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5a,6]C[3x6])	124.2110	0.000	1	124.2110	0.000	1	124.2110	0.000	1	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(O)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[5,6]O)	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5]2C[6])(O){1|C<3>,1|N<2>,1|O<1>,2|N<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C)(C[6]C[5,6]O){1|H<1>,2|C<3>,2|C<4>}	O(C[6]C[5a,6]C[5,6])	124.8080	0.000	1	124.8080	0.000	1	124.8080	0.000	1	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O)	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O){1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O){1|C<3>,1|C<4>,1|N<2>,2|O<2>,4|H<1>}	O(C[6]C[5a,6]C[5,6])	126.5380	0.000	1	126.6235	0.015	2	126.6235	0.015	2	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[5,6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O)	O(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]O[5,6]O[5]H)(O){1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[5,6]O){1|C<4>,2|C<3>,2|O<2>,4|H<1>}	O(C[6]C[5a,6]C[5,6])	126.7090	0.000	1	126.6235	0.015	2	126.6235	0.015	2	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6,6]O)	O(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]O[6]O)(O){2|C<3>,2|C<4>,3|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]C)(C[6]C[6,6]O){1|C<4>,2|O<2>,3|H<1>}	O(C[6]C[5a,6]C[6,6])	125.7010	0.415	4	125.7010	0.172	4	125.0174	2.466	5	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]C[6]H)(O)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]O)	O(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]N[6,6]C[6]H)(O){1|C<3>,1|S<2>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]O){1|C<4>,1|N<3>,4|H<1>}	O(C[6]C[5a,6]C[6,6])	122.2830	0.000	1	122.2830	0.000	1	125.0174	2.466	5	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]O)	O(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]C[6,6]C[6]H)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6,6]O){1|C<4>,1|N<3>,1|S<4>,3|C<3>,3|H<1>}	O(C[6]C[5a,6]C[6,6])	122.6440	0.000	1	122.6440	0.000	1	122.9765	0.221	2	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]O)	O(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6,6]N[6,6]C[6]O)(O){1|C<4>,1|O<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6,6]O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,4|C<3>}	O(C[6]C[5a,6]C[6,6])	123.3090	0.000	1	123.3090	0.000	1	122.9765	0.221	2	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	124.0610	0.180	2	124.0610	0.032	2	123.9253	0.071	3	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.6540	0.000	1	123.6540	0.000	1	123.9253	0.071	3	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]FF)(O)	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6,6a]FF)(O){1|C<4>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]O[5a])(C[5a]C[5a]C)(C[6]C[6]O){1|H<1>,2|C<3>,2|F<1>}	O(C[6]C[5a,6]C[6])	126.5590	0.000	1	126.5590	0.000	1	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5a,6]C[6])	125.8460	0.000	1	125.8460	0.000	1	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CO)(O){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	O(C[6]C[5a,6]C[6])	123.3870	0.069	4	123.3870	0.005	4	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]C[6a]O[5a])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	125.3700	0.000	1	125.3700	0.000	1	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	124.2480	0.000	1	124.2480	0.000	1	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	125.9920	0.000	1	125.9920	0.000	1	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,4|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]O){3|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.2170	0.000	1	123.2170	0.000	1	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	O(C[6]C[5a,6]C[6])	123.7990	0.000	1	124.0675	0.144	2	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[5])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	124.3360	0.000	1	124.0675	0.144	2	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[5a,6]C[6])	124.5750	0.000	1	124.5750	0.000	1	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<2>,1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	122.6550	0.000	1	123.1197	0.211	13	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<2>,2|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	122.3710	0.000	1	123.1197	0.211	13	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.2730	0.000	1	123.1197	0.211	13	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[5a,6]C[6])	123.2850	0.000	1	123.1197	0.211	13	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	O(C[6]C[5a,6]C[6])	122.8475	0.515	2	123.1197	0.211	13	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.3253	0.407	7	123.1197	0.211	13	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|N<2>,1|N<3>,4|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]C)(C[6]C[6]O){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	O(C[6]C[5a,6]C[6])	123.4110	0.208	2	123.4110	0.043	2	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.3910	0.000	1	123.3910	0.000	1	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.0260	0.000	1	123.0877	0.264	3	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){2|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.6300	0.000	1	123.0877	0.264	3	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){2|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	122.6070	0.000	1	123.0877	0.264	3	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	124.2520	0.338	4	124.2520	0.114	4	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]CC)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]CC)(O){1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	O(C[6]C[5a,6]C[6])	123.1060	0.000	1	123.1060	0.000	1	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]CH)(O){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[6a]N[5a])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	O(C[6]C[5a,6]C[6])	125.5320	0.000	1	125.5320	0.000	1	123.7676	0.997	38	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[4])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C[4])(C[6]C[6]O){1|H<1>,1|N<3>,3|C<4>,4|C<3>}	O(C[6]C[5a,6]C[6])	124.6140	0.000	1	124.6140	0.000	1	123.9217	0.398	18	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5a,6]C[6])	125.2080	0.000	1	125.2080	0.000	1	123.9217	0.398	18	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	O(C[6]C[5a,6]C[6])	124.5360	0.000	1	124.5360	0.000	1	123.9217	0.398	18	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]C[6]O){2|C<3>,2|C<4>,3|H<1>}	O(C[6]C[5a,6]C[6])	124.1890	0.921	2	124.1890	0.848	2	123.9217	0.398	18	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CH)(O){1|C<3>,1|H<1>,1|N<2>,3|C<4>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]O){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	O(C[6]C[5a,6]C[6])	124.8590	0.000	1	124.8590	0.000	1	123.9217	0.398	18	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C[6a])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.6085	0.646	2	123.6085	0.417	2	123.9217	0.398	18	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.4683	0.154	7	123.5618	0.071	9	123.9217	0.398	18	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	124.1620	0.000	1	123.5618	0.071	9	123.9217	0.398	18	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.6160	0.000	1	123.5618	0.071	9	123.9217	0.398	18	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]O){1|C<3>,1|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.7230	0.000	1	123.7230	0.000	1	123.9217	0.398	18	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]O){2|C<3>,2|H<1>,2|S<2>,3|C<4>}	O(C[6]C[5a,6]C[6])	122.6820	0.000	1	122.6820	0.000	1	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]CH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[5a,6]C[6])	124.3070	0.000	1	124.3070	0.000	1	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5,5a,6a]C[6a])(C[5a,6]N[5,5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5a,6]C[6])	121.5590	0.636	4	121.5590	0.405	4	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,5|H<1>}	O(C[6]C[5a,6]C[6])	121.8050	0.027	2	122.2184	0.721	7	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,1|S<4>,2|C<3>,5|H<1>}	O(C[6]C[5a,6]C[6])	121.0760	0.000	1	122.2184	0.721	7	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	O(C[6]C[5a,6]C[6])	122.0250	0.000	1	122.2184	0.721	7	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	123.2390	0.000	1	122.2184	0.721	7	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	O(C[6]C[5a,6]C[6])	123.4770	0.000	1	122.2184	0.721	7	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	O(C[6]C[5a,6]C[6])	122.1020	0.000	1	122.2184	0.721	7	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[5a,6]C[6])	122.3880	0.000	1	122.4510	0.008	2	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	O(C[6]C[5a,6]C[6])	122.5140	0.000	1	122.4510	0.008	2	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O)	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]O[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	122.9900	0.000	1	122.9900	0.000	1	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(O)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HO)(O){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]O){1|C<4>,2|C<3>,2|O<2>,3|H<1>}	O(C[6]C[5a,6]C[6])	123.1928	0.569	5	123.1928	0.324	5	122.5052	0.844	21	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]Br)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])	121.6050	0.000	1	121.6050	0.000	1	121.6668	0.213	4	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]O){3|C<4>,4|H<1>}	O(C[6]C[5a,6]C[6])	121.9920	0.276	2	121.9920	0.076	2	121.6668	0.213	4	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:O-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]C)(O)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]O)	O(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6]C)(O){1|C<4>,3|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]O){2|C<4>,2|H<1>,3|C<3>}	O(C[6]C[5a,6]C[6])	121.0780	0.000	1	121.0780	0.000	1	121.6668	0.213	4	123.5856	1.599	96	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	4:3:1:	3:3:2:	3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[5,6])	C[6](C[5,6]C[5,5]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5a,6]C[5,6])	125.8665	0.482	2	125.8665	0.232	2	126.0313	0.197	3	125.6025	0.867	4	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	4:3:1:	3:3:2:	3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O)	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[5,6])	C[6](C[5,6]C[5,6]O[5,6]C)(C[5a,6]C[5a,6]O[5a])(O){1|H<1>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5,6]C[5a])(C[6]C[5,6]O)(O[5a]C[5a]){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	O(C[6]C[5a,6]C[5,6])	126.3610	0.000	1	126.3610	0.000	1	126.0313	0.197	3	125.6025	0.867	4	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	4:3:1:	3:3:2:	3:	C[6,6]-4:C[5a,6]-3:O-1:	C[5a,6,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5a,6]C[5a,6,6]O[5a])(O)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]O)(O[5a]C[5a])	O(C[6]C[5a,6]C[6,6])	C[6](C[6,6]C[3,6,6]C[5,6]H)(C[5a,6]C[5a,6,6]O[5a])(O){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[6]C[6,6]O)(O[5a]C[5a]){1|C<3>,2|H<1>,4|C<4>}	O(C[6]C[5a,6]C[6,6])	124.3160	0.000	1	124.3160	0.000	1	124.3160	0.000	1	125.6025	0.867	4	123.6373	3.427	419	123.6373	3.427	419
762	727	863	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	4:3:1:	3:3:3:	3:	C[5,6]-4:C[5a,6]-3:O-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]O)	O(C[6]C[5a,6]C[5,6])	C[6](C[5,6]C[5,5]C[5]C[6])(C[5a,6]C[5a,6]N[5a])(O){1|N<3>,2|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[5,6]O){2|C<3>,2|H<1>,3|C<4>}	O(C[6]C[5a,6]C[5,6])	122.2335	0.805	2	122.2335	0.649	2	122.2335	0.649	2	122.2335	0.649	2	123.6373	3.427	419	123.6373	3.427	419
762	727	880	0:SP2_SP2_SP3	C[6]	C[5a,6]	Si	3:3:4:	3:3:3:	3:4:4:4:	C[5a,6]-3:C[6]-3:Si-4:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C-4:C-4:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C[6a])(SiC3)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]Si)	Si(C[6]C[5a,6]C[6])(CH3)3	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]C[6a])(SiC3){1|H<1>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]C[6]Si){2|H<1>,3|C<3>}	Si(C[6]C[5a,6]C[6])(CH3)3	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1
762	727	893	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:2:	3:2:3:	3:1:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH){1|C<4>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|C<3>,1|N<3>,2|H<1>,2|O<1>}	O(C[6]C[5a,6]C[6])(H)	114.5310	0.000	1	114.8990	0.208	3	114.8990	0.208	3	114.8990	0.208	3	118.4151	25.323	34	118.4151	25.323	34
762	727	893	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:2:	3:2:3:	3:1:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH)	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]C)(OH){1|C<4>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]S[6])(S[5a]C[5a])(C[6]C[6]O){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|O<1>}	O(C[6]C[5a,6]C[6])(H)	115.0830	0.462	2	114.8990	0.208	3	114.8990	0.208	3	114.8990	0.208	3	118.4151	25.323	34	118.4151	25.323	34
762	727	893	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:C[5a,6]-3:O-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){2|Br<1>,1|B<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){1|Cl<1>,1|C<3>,1|N<3>,1|O<2>,2|F<1>}	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	117.1935	1.907	2	117.9780	2.605	4	117.9780	2.605	4	118.6836	22.278	24	118.4151	25.323	34	118.4151	25.323	34
762	727	893	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:C[5a,6]-3:O-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O)	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){2|Br<1>,1|B<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5a,6]O){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	118.7625	1.310	2	117.9780	2.605	4	117.9780	2.605	4	118.6836	22.278	24	118.4151	25.323	34	118.4151	25.323	34
762	727	893	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:C[5a,6]-3:O-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	118.9929	5.293	16	119.0229	28.956	18	119.0229	28.956	18	118.6836	22.278	24	118.4151	25.323	34	118.4151	25.323	34
762	727	893	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:C[5a,6]-3:O-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(OC[6a]){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	O(C[6]C[5a,6]2)(C[6a]C[6a]2)	119.2630	8.480	2	119.0229	28.956	18	119.0229	28.956	18	118.6836	22.278	24	118.4151	25.323	34	118.4151	25.323	34
762	727	893	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC[6a])	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC[6a]){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]O){3|C<3>,4|H<1>}	O(C[6]C[5a,6]C[6])(C[6a]C[6a]2)	117.0410	1.690	2	117.0410	2.856	2	117.0410	2.856	2	118.6836	22.278	24	118.4151	25.323	34	118.4151	25.323	34
762	727	893	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:2:	3:3:3:	3:4:	C[5a,6]-3:C[5a,6]-3:O-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]C[5a])2(OC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	O(C[6]C[5a,6]2)(CCHH)	C[6](C[5a,6]N[5a,6]C[5a])2(OC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	O(C[6]C[5a,6]2)(CCHH)	119.3528	7.835	4	119.3528	61.384	4	119.2817	55.669	6	119.0014	46.940	7	118.4151	25.323	34	118.4151	25.323	34
762	727	893	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:2:	3:3:3:	3:4:	C[5a,6]-3:C[5a,6]-3:O-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]C[5a])2(OC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H)	O(C[6]C[5a,6]2)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(OC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]O)(C[5a]C[5a]H){2|Cl<1>,1|C<3>,1|N<3>,2|F<1>}	O(C[6]C[5a,6]2)(CH3)	119.1395	9.702	2	119.1395	94.133	2	119.2817	55.669	6	119.0014	46.940	7	118.4151	25.323	34	118.4151	25.323	34
762	727	893	0:SP2_SP2_SP2	C[6]	C[5a,6]	O	3:3:2:	3:3:3:	3:4:	C[5a,6]-3:C[6]-3:O-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]H)(OC)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O)	O(C[6]C[5a,6]C[6])(CH3)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6,6]H)(OC){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6]N[5a])(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	O(C[6]C[5a,6]C[6])(CH3)	117.3200	0.000	1	117.3200	0.000	1	117.3200	0.000	1	119.0014	46.940	7	118.4151	25.323	34	118.4151	25.323	34
762	727	901	0:SP2_SP1_SP2	C[6]	C[5a,6]	N	3:3:1:	3:2:3:	3:	C[5a,6]-3:N[6]-3:N-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(N){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N(C[6]C[5a,6]N[6])	126.4080	0.000	1	126.4080	0.000	1	126.4080	0.000	1	126.4080	0.000	1	126.4080	0.000	1	126.4080	0.000	1
762	727	904	6:SP2_SP-NON_SP2	C[6]	C[5a,6]	P[6]	3:3:2:	3:3:2:	3:3:	C[5a,6]-3:C[6a]-3:P[6]-2:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[5a,6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(P[6]C[5a,6])	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6])(S[5a]C[5a])	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6a]C[6a]2)(P[6]C[5a,6]){1|S<2>,2|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[5a])(C[6]C[6a]P[6])(S[5a]C[5a]){2|H<1>,4|C<3>}	P[6](C[5a,6]C[5a,6]S[5a])(C[6]C[5a,6]C[6a]){1|S<2>,5|C<3>}	123.4590	0.000	1	123.4590	0.000	1	123.4590	0.000	1	123.4590	0.000	1	123.4590	0.000	1	123.4590	0.000	1
762	727	909	0:SP2_SP2_SP2	C[6]	C[5a,6]	S	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:C[5a,6]-3:S-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	S(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a]){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|F<1>}	S(C[6]C[5a,6]2)(C[6a]C[6a]2)	118.5470	2.940	3	119.3872	18.885	6	119.3872	18.885	6	119.3872	18.885	6	119.4425	21.455	8	119.4425	21.455	8
762	727	909	0:SP2_SP2_SP2	C[6]	C[5a,6]	S	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:C[5a,6]-3:S-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6a]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a])	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	S(C[6]C[5a,6]2)(C[6a]C[6a]2)	C[6](C[5a,6]N[5a,6]C[5a])2(SC[6a]){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	S(C[6]C[5a,6]2)(C[6a]C[6a]2)	120.2273	6.038	3	119.3872	18.885	6	119.3872	18.885	6	119.3872	18.885	6	119.4425	21.455	8	119.4425	21.455	8
762	727	909	0:SP2_SP2_SP2	C[6]	C[5a,6]	S	3:3:2:	3:3:3:	3:4:	C[5a,6]-3:C[5a,6]-3:S-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]C[5a])2(SC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	S(C[6]C[5a,6]2)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(SC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	S(C[6]C[5a,6]2)(CH3)	124.8850	0.000	1	119.6085	55.683	2	119.6085	55.683	2	119.6085	55.683	2	119.4425	21.455	8	119.4425	21.455	8
762	727	909	0:SP2_SP2_SP2	C[6]	C[5a,6]	S	3:3:2:	3:3:3:	3:4:	C[5a,6]-3:C[5a,6]-3:S-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]C[5a])2(SC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H)	S(C[6]C[5a,6]2)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])2(SC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]S)(C[5a]C[5a]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	S(C[6]C[5a,6]2)(CH3)	114.3320	0.000	1	119.6085	55.683	2	119.6085	55.683	2	119.6085	55.683	2	119.4425	21.455	8	119.4425	21.455	8
762	727	914	0:SP2_SP2_SP2	C[6,6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:N[6,6]-3:N[6]-2:	C[5a,6]-3:C[6,6]-3:N[5a]-3:	C[6,6]-3:C[6,6a]-3:	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a])	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H)	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a])	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(N[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6,6]N[6,6]N[6])(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	N[6](C[6,6]C[5a,6]N[6,6])(C[6,6a]C[6,6a]C[6a]){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	118.7630	0.000	1	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:2:	3:2:3:	3:2:	C[5a]-3:N[6]-2:N[6]-2:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:S[6]-2:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6])(N[6]S[6])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2)	N[6](C[6]C[5a]N[6])(S[6]C[6,6])	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6])(N[6]S[6]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2){1|C<3>,1|S<2>,2|H<1>}	N[6](C[6]C[5a]N[6])(S[6]C[6,6]){1|S<2>,3|C<3>}	113.7490	0.000	2	113.7490	0.000	2	113.7490	0.000	2	113.7490	0.000	2	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:2:	3:2:3:	3:3:	C[5a]-3:N[6]-2:N[6]-2:	C[5a]-3:S[5a]-2:C[6]-3:	C[6,6]-3:C[6]-3:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6])(N[6]S[6])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2)	N[6](C[6,6]C[6,6]N[6])(C[6]C[5a]N[6])	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6])(N[6]S[6]){1|H<1>,1|N<3>,3|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2){1|C<3>,1|S<2>,2|H<1>}	N[6](C[6,6]C[6,6]N[6])(C[6]C[5a]N[6]){1|C<4>,2|S<2>,3|C<3>}	116.5310	0.000	2	116.5310	0.000	2	116.5310	0.000	2	116.4940	1.122	7	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:2:	3:2:3:	3:3:	C[5a]-3:N[6]-2:N[6]-2:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[5a]N[5a]2)(N[6]N[6])2	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]N[6]2)	N[6](C[6]C[5a]N[6])(N[6]C[6]C)	C[6](C[5a]N[5a]2)(N[6]N[6])2{1|H<1>,2|C<4>,3|C<3>}	C[5a](N[5a]C[5a]H)(N[5a]C[5a])(C[6]N[6]2){2|H<1>,2|N<3>}	N[6](C[6]C[5a]N[6])(N[6]C[6]C){1|N<2>,1|O<1>,2|N<3>}	115.9060	0.230	4	115.9060	0.053	4	115.9060	0.053	4	116.4940	1.122	7	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:2:	3:2:3:	3:3:	C[5a]-3:N[6]-2:O[6]-2:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[5a]C[5a]S[5a])(N[6]N[6])(O[6]C[6])	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]O[6])	N[6](C[6]C[5a]O[6])(N[6]C[6]H)	C[6](C[5a]C[5a]S[5a])(N[6]N[6])(O[6]C[6]){3|C<3>,4|H<1>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]O[6]){1|C<4>,1|N<3>,2|C<3>}	N[6](C[6]C[5a]O[6])(N[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|S<2>}	118.7720	0.000	1	118.7720	0.000	1	118.7720	0.000	1	116.4940	1.122	7	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:2:	3:3:2:	3:2:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:O[6]-2:	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a])	N[6](C[6]C[5a]O[6])(O[6]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|N<2>,1|N<3>,1|O<2>}	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a]){1|N<2>,1|O<2>}	N[6](C[6]C[5a]O[6])(O[6]C[6]){2|C<3>,2|N<2>}	116.8635	0.978	2	119.5255	2.375	10	119.5255	2.375	10	119.5255	2.375	10	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:2:	3:3:2:	3:2:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:O[6]-2:	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a])	N[6](C[6]C[5a]O[6])(O[6]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|C<3>,1|O<2>,2|N<2>}	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a]){1|N<2>,1|O<2>}	N[6](C[6]C[5a]O[6])(O[6]C[6]){2|C<3>,2|N<2>}	120.1332	0.724	6	119.5255	2.375	10	119.5255	2.375	10	119.5255	2.375	10	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:2:	3:3:2:	3:2:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:C[5a]-3:N[5a]-2:	C[6]-3:O[6]-2:	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6])	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a])	N[6](C[6]C[5a]O[6])(O[6]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]O[6])(O[6]N[6]){1|Co<6>,1|C<3>,1|O<2>,2|N<2>}	C[5a](C[6]N[6]O[6])(C[5a]N[5a]N)(N[5a]O[5a]){1|N<3>,1|O<2>}	N[6](C[6]C[5a]O[6])(O[6]C[6]){1|N<2>,1|N<3>,2|C<3>}	120.3645	0.016	2	119.5255	2.375	10	119.5255	2.375	10	119.5255	2.375	10	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:2:	3:3:2:	3:3:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:C[5a]-3:O[5a]-2:	C[6,6]-3:C[6]-3:	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6])(O[6]B[6])	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a])	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6])	C[6](C[5a]C[5a]O[5a])(N[6]C[6,6])(O[6]B[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(O[5a]C[5a]){1|B<4>,1|C<3>,2|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6]){1|B<4>,1|H<1>,1|O<2>,3|C<3>}	118.9400	0.000	1	118.9400	0.000	1	118.9400	0.000	1	118.9400	0.000	1	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:2:	3:3:3:	3:3:	C[5a]-3:N[6]-2:N[6]-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5a]C[5a]2)(N[6]C[6,6a])(N[6]C[6])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6]N[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])	C[6](C[5a]C[5a]2)(N[6]C[6,6a])(N[6]C[6]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6]N[6]2){1|C<4>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]){1|H<1>,5|C<3>}	116.9220	0.000	1	116.9220	0.000	1	116.9220	0.000	1	117.7695	1.264	4	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:2:	3:3:3:	3:3:	C[5a]-3:N[6]-2:N[6]-2:	C[5a]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a]C[5a]2)(N[6]C[6,6a])(N[6]C[6])	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6]N[6]2)	N[6](C[6]C[5a]N[6])(C[6]C[6,6a]O)	C[6](C[5a]C[5a]2)(N[6]C[6,6a])(N[6]C[6]){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[5a](C[5a]N[5a]C)(C[5a]N[5a]N)(C[6]N[6]2){1|C<4>,2|C<3>}	N[6](C[6]C[5a]N[6])(C[6]C[6,6a]O){4|C<3>}	116.7100	0.000	1	116.7100	0.000	1	116.7100	0.000	1	117.7695	1.264	4	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:2:	3:3:3:	3:3:	C[5a]-3:N[6]-2:O[6]-2:	C[6]-3:C[5a]-3:C[5a]-3:	C[6,6]-3:C[6]-3:	C[6](C[5a]C[5a]2)(N[6]C[6,6])(O[6]B[6])	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H)	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6])	C[6](C[5a]C[5a]2)(N[6]C[6,6])(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[5a](C[6]N[6]O[6])(C[5a]C[5a]H)(C[5a]S[5a]H){1|B<4>,1|C<3>,1|H<1>}	N[6](C[6,6]N[6,6]C[6])(C[6]C[5a]O[6]){1|B<4>,1|H<1>,4|C<3>}	118.7230	0.366	2	118.7230	0.134	2	118.7230	0.134	2	117.7695	1.264	4	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:3:	3:2:3:	3:3:	C[5a]-3:N[6]-2:N[6]-3:	C[5a]-3:S[5a]-2:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a])(N[6]C[6]Ir)	C[5a](C[5a]C[5a]Ir)(S[5a]C[5a])(C[6]N[6]2)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6])	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a])(N[6]C[6]Ir){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]Ir)(S[5a]C[5a])(C[6]N[6]2){2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]N[6]){1|Ir<6>,1|H<1>,1|S<2>,4|C<3>}	124.8755	0.291	2	124.8755	0.084	2	124.8755	0.084	2	124.8755	0.084	2	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:3:	3:3:2:	3:3:	C[5a]-3:N[6]-2:C[6]-3:	C[6]-3:C[5a]-3:S[5a]-2:	N[5a,6]-3:C[6]-3:	C[6](C[5a]C[5a]S[5a])(N[6]N[5a,6])(C[6]S[6]C)	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6])	C[6](C[5a]C[5a]S[5a])(N[6]N[5a,6])(C[6]S[6]C){1|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|H<1>,1|S<2>,2|N<3>}	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]){1|C<4>,2|C<3>,2|N<2>,2|S<2>}	114.5780	0.000	1	114.5780	0.000	1	114.5780	0.000	1	114.5780	0.000	1	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:2:4:	3:3:3:	3:3:	C[5a]-3:N[6]-2:C[6]-4:	N[5a]-3:C[6]-3:C[5a]-3:	N[5a,6]-3:C[6]-3:	C[6](C[5a]C[5a]N[5a])(N[6]N[5a,6])(C[6]S[6]HH)	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O)	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6])	C[6](C[5a]C[5a]N[5a])(N[6]N[5a,6])(C[6]S[6]HH){1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6](N[5a,6]C[5a,6]C[5a])(C[6]C[5a]C[6]){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|H<1>,2|N<2>}	118.1535	0.956	4	118.1535	0.913	4	118.1535	0.913	4	118.1535	0.913	4	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:2:	3:2:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:N[5a]-2:S[5a]-2:	C[6]-3:C[6]-2:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6])	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6])	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]C[5a])(S[5a]C[5a]){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	115.8590	0.000	1	115.8590	0.000	1	115.8590	0.000	1	115.8590	0.000	1	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:2:	3:3:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:N[5a]-2:O[5a]-2:	C[6]-3:C[6]-3:	C[6](C[5a]N[5a]O[5a])(C[6]N[6]H)(N[6]C[6])	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a]N[5a]O[5a])(C[6]N[6]H)(N[6]C[6]){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	C[5a](C[6]C[6]N[6])(N[5a]N[5a])(O[5a]C[5a]){1|H<1>,1|N<3>,2|C<3>}	N[6](C[6]C[5a]C[6])(C[6]C[6]H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	115.7540	0.000	1	115.7540	0.000	1	115.7540	0.000	1	115.7540	0.000	1	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:3:	3:2:	C[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:S[6]-2:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2)	N[6](C[6]C[5a]N[6])(S[6]C[6,6a])	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2){1|C<3>,1|S<2>,3|H<1>}	N[6](C[6]C[5a]N[6])(S[6]C[6,6a]){1|H<1>,1|S<2>,3|C<3>}	117.1920	0.000	1	117.1920	0.000	1	117.1920	0.000	1	117.1545	0.003	2	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:3:	3:2:	C[5a]-3:S[6]-3:N[6]-2:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:O[6]-2:	C[6](C[5a]C[5a]S[5a])(S[6]C[6]O)(N[6]O[6])	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]S[6])	N[6](C[6]C[5a]S[6])(O[6]C[6])	C[6](C[5a]C[5a]S[5a])(S[6]C[6]O)(N[6]O[6]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]S[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	N[6](C[6]C[5a]S[6])(O[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	117.1170	0.000	1	117.1170	0.000	1	117.1170	0.000	1	117.1545	0.003	2	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(N[6]C[6])	C[5a](C[5a]C[5a]Ir)(S[5a]C[5a])(C[6]N[6]2)	N[6](C[6]C[5a]N[6])(C[6]C[6,6a]O)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(N[6]C[6]){1|O<2>,4|C<3>}	C[5a](C[5a]C[5a]Ir)(S[5a]C[5a])(C[6]N[6]2){2|C<3>,2|H<1>}	N[6](C[6]C[5a]N[6])(C[6]C[6,6a]O){1|Ir<6>,1|S<2>,3|C<3>}	119.8850	0.878	2	119.8850	0.771	2	119.9270	0.304	4	119.5964	2.213	14	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(N[6]C[6])	C[5a](C[5a]C[5a]Ir)(S[5a]C[5a])(C[6]N[6]2)	N[6](C[6]C[6,6a]N[6])(C[6]C[5a]N[6])	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(N[6]C[6]){1|N<3>,4|C<3>}	C[5a](C[5a]C[5a]Ir)(S[5a]C[5a])(C[6]N[6]2){2|C<3>,2|H<1>}	N[6](C[6]C[6,6a]N[6])(C[6]C[5a]N[6]){1|Ir<6>,1|S<2>,2|C<4>,3|C<3>}	119.9690	0.366	2	119.9690	0.134	2	119.9270	0.304	4	119.5964	2.213	14	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[6]-3:N[6]-2:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:S[6]-3:	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6])	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2)	N[6](C[6]C[5a]N[6])(S[6]C[6,6a]O)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]H)(N[6]S[6]){1|H<1>,1|O<1>,4|C<3>}	C[5a](C[5a]C[5a]H)(S[5a]C[5a])(C[6]N[6]2){1|C<3>,1|S<3>,3|H<1>}	N[6](C[6]C[5a]N[6])(S[6]C[6,6a]O){1|H<1>,1|S<2>,3|C<3>}	117.1670	0.000	1	117.1670	0.000	1	117.1670	0.000	1	119.5964	2.213	14	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[6]-3:N[6]-2:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(N[6]C[6])	C[5a](N[5a]N[5a]Fe)(N[5a]N[5a])(C[6]N[6]2)	N[6](C[6]C[5a]N[6])(C[6]C[6]H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(N[6]C[6]){1|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]N[5a]Fe)(N[5a]N[5a])(C[6]N[6]2){2|C<3>}	N[6](C[6]C[5a]N[6])(C[6]C[6]H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.6945	0.451	4	120.6945	0.204	4	120.2212	0.464	8	119.5964	2.213	14	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[6]-3:N[6]-2:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(N[6]C[6])	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(C[6]N[6]2)	N[6](C[6]C[5a]N[6])(C[6]C[6]H)	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(N[6]C[6]){1|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]N[5a]Mn)(N[5a]N[5a])(C[6]N[6]2){2|C<3>}	N[6](C[6]C[5a]N[6])(C[6]C[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.5810	0.000	1	119.5810	0.000	1	120.2212	0.464	8	119.5964	2.213	14	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[6]-3:N[6]-2:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(N[6]C[6])	C[5a](N[5a]N[5a]Ni)(N[5a]N[5a])(C[6]N[6]2)	N[6](C[6]C[5a]N[6])(C[6]C[6]H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(N[6]C[6]){1|C<3>,2|H<1>,2|N<2>}	C[5a](N[5a]N[5a]Ni)(N[5a]N[5a])(C[6]N[6]2){2|C<3>}	N[6](C[6]C[5a]N[6])(C[6]C[6]H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.8037	0.636	3	119.8037	0.405	3	120.2212	0.464	8	119.5964	2.213	14	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:2:3:	3:3:	C[5a]-3:N[6]-3:N[6]-2:	N[5a]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6])	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(C[6]N[6]2)	N[6](C[6]C[5a]N[6])(N[6]C[6]H)	C[6](C[5a]N[5a]2)(N[6]N[6]H)(N[6]N[6]){1|N<2>,2|C<3>,2|H<1>}	C[5a](N[5a]C[5a]H)(N[5a]N[5a])(C[6]N[6]2){1|H<1>,1|N<3>,2|N<2>}	N[6](C[6]C[5a]N[6])(N[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	115.7050	0.000	1	115.7050	0.000	1	115.7050	0.000	1	119.5964	2.213	14	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:3:2:	3:3:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[5a]-3:S[5a]-2:	C[6,6a]-3:C[6]-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6,6a]){1|S<2>,2|H<1>,5|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|C<3>,2|H<1>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6]){1|H<1>,1|N<3>,1|S<2>,4|C<3>}	115.4810	0.106	2	115.4810	0.011	2	115.4810	0.011	2	115.4810	0.011	2	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:3:2:	3:4:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[5a]-3:S[5a]-2:	C[6]-3:C[6]-4:	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	N[6](C[6]C[5a]C[6])(C[6]C[6]HH)	C[6](C[5a]C[5a]S[5a])(C[6]C[5a]N[6])(N[6]C[6]){1|C<4>,1|S<2>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	N[6](C[6]C[5a]C[6])(C[6]C[6]HH){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	118.2355	0.590	2	118.2355	0.349	2	118.2355	0.349	2	118.2355	0.349	2	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a])	C[5a](C[6]C[5a,6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a]){1|B<4>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a](C[6]C[5a,6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]){1|H<1>,2|N<3>,4|C<3>}	118.3130	0.000	1	118.3130	0.000	1	118.3130	0.000	1	116.9727	2.182	3	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[6](C[6]C[5a]C[6])2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|H<1>,3|C<3>}	N[6](C[6]C[5a]C[6])2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	117.2160	0.000	1	117.2160	0.000	1	116.3025	1.669	2	116.9727	2.182	3	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:3:2:	3:3:3:	3:3:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[5a]-3:N[5a]-3:	C[6]-3:C[6]-3:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]O)(N[6]C[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H)	N[6](C[6]C[5a]C[6])2	C[6](C[5a]C[5a]N[5a])(C[6]C[6]O)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]C)(N[5a]C[5a]H){1|C<4>,1|O<1>,3|C<3>}	N[6](C[6]C[5a]C[6])2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	115.3890	0.000	1	115.3890	0.000	1	116.3025	1.669	2	116.9727	2.182	3	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:4:2:	3:3:2:	3:2:	C[5a]-3:C[6]-4:N[6]-2:	C[6]-3:C[5a]-3:S[5a]-2:	C[6]-3:N[6]-2:	C[6](C[5a]C[5a]S[5a])(C[6]S[6]HH)(N[6]N[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	N[6](C[6]C[5a]C[6])(N[6]C[6])	C[6](C[5a]C[5a]S[5a])(C[6]S[6]HH)(N[6]N[6]){1|H<1>,3|C<3>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|Cl<1>,1|N<2>,1|S<2>,3|H<1>}	N[6](C[6]C[5a]C[6])(N[6]C[6]){1|C<3>,1|N<3>,2|H<1>,2|S<2>}	118.8405	0.412	2	118.8405	0.170	2	118.8405	0.170	2	118.8405	0.170	2	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:4:2:	3:3:2:	3:3:	C[5a]-3:C[6]-4:N[6]-2:	C[6]-3:C[5a]-3:S[5a]-2:	C[6]-3:N[6]-3:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(N[6]N[6])	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a])	N[6](C[6]C[5a]C[6])(N[6]C[6a]C[6])	C[6](C[5a]C[5a]S[5a])(C[6]C[6]CC)(N[6]N[6]){1|C<4>,3|C<3>,3|H<1>}	C[5a](C[6]C[6]N[6])(C[5a]C[5a]H)(S[5a]C[5a]){1|N<3>,2|H<1>,3|C<4>}	N[6](C[6]C[5a]C[6])(N[6]C[6a]C[6]){1|H<1>,1|S<2>,3|C<3>,4|C<4>}	112.6970	0.000	1	112.6970	0.000	1	112.6970	0.000	1	112.6970	0.000	1	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:4:2:	3:3:3:	3:3:	C[5a]-3:C[6]-4:N[6]-2:	C[5a,6a]-3:C[6]-3:C[5a]-3:	C[6]-3:N[6]-3:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(N[6]N[6])	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C)	N[6](C[6]C[5a]C[6])(N[6]C[6]C)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(N[6]N[6]){1|N<2>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[5a](C[5a,6a]N[5a,6a]C[6a])(C[6]C[6]N[6])(C[5a]N[5a]C){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	N[6](C[6]C[5a]C[6])(N[6]C[6]C){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	116.6340	0.000	1	116.6340	0.000	1	116.6340	0.000	1	117.1342	2.808	5	118.1226	5.673	64	118.1324	5.590	65
762	727	914	0:SP2_SP2_SP2	C[6]	C[5a]	N[6]	3:4:2:	3:3:3:	3:3:	C[5a]-3:C[6]-4:N[6]-2:	N[5a]-3:C[6]-3:C[5a]-3:	C[6]-3:N[6]-3:	C[6](C[5a]C[5a]N[5a])(C[6]S[6]HH)(N[6]N[6])	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O)	N[6](C[6]C[5a]C[6])(N[6]C[6]H)	C[6](C[5a]C[5a]N[5a])(C[6]S[6]HH)(N[6]N[6]){1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[5a](N[5a]C[6a]N[5a])(C[6]C[6]N[6])(C[5a]O[5a]O){1|N<3>,1|S<2>,2|C<3>,2|H<1>}	N[6](C[6]C[5a]C[6])(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|S<2>,2|H<1>}	117.2593	1.908	4	117.2593	3.640	4	117.2593	3.640	4	117.1342	2.808	5	118.1226	5.673	64	118.1324	5.590	65
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:1:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O){1|C<3>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5a,6]O)(C[6]N[6]N){1|C<3>,1|N<2>}	111.0553	0.756	3	116.2309	11.617	11	116.2309	11.617	11	116.2309	11.617	11	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:1:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:O-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O)	N[6](C[6]C[5a,6]O)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(O){1|C<3>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]O){1|C<3>,1|H<1>}	N[6](C[6]C[5a,6]O)(C[6]N[6]N){1|C<3>,1|N<2>}	118.1718	0.805	8	116.2309	11.617	11	116.2309	11.617	11	116.2309	11.617	11	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:1:	3:3:3:	3:3:	C[5a,6]-3:N[6]-2:Cl-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(Cl)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]Cl)	N[6](C[6]C[5a,6]Cl)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(Cl){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]Cl){1|Ru<9>,1|Si<4>,1|C<3>,1|H<1>}	N[6](C[6]C[5a,6]Cl)(C[6]N[6]H){1|Ru<9>,2|C<3>}	123.5280	0.000	1	123.5280	0.000	1	123.5280	0.000	1	125.8286	5.010	5	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:1:	3:3:3:	3:3:	C[5a,6]-3:N[6]-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a])(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]H)	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]H){1|H<1>,1|S<2>,2|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,3|C<3>}	124.5885	0.015	2	124.5885	0.000	2	124.5885	0.000	2	125.8286	5.010	5	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:1:	3:3:3:	3:3:	C[5a,6]-3:N[6]-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H)	N[6](C[6]C[5a,6]H)(N[6]B[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H){1|B<4>,1|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>}	N[6](C[6]C[5a,6]H)(N[6]B[6]C){1|C<3>,1|N<3>,2|F<1>}	127.8700	0.000	1	127.8700	0.000	1	128.2190	0.244	2	125.8286	5.010	5	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:1:	3:3:3:	3:3:	C[5a,6]-3:N[6]-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6]H)	N[6](C[6]C[5a,6]H)(N[6]B[6]C)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6]H){1|N<3>,2|F<1>,2|H<1>}	N[6](C[6]C[5a,6]H)(N[6]B[6]C){1|C<3>,1|N<3>,2|F<1>}	128.5680	0.000	1	128.5680	0.000	1	128.2190	0.244	2	125.8286	5.010	5	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:1:	3:3:3:	4:3:	C[5a,6]-3:N[6]-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-4:C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]H)	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]H)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]H){1|C<3>,1|C<4>,3|H<1>}	N[6](C[6]C[6a]C[6]H)(C[6]C[5a,6]H){1|H<1>,1|N<3>,4|C<3>}	125.1560	0.000	1	125.1560	0.000	1	125.1560	0.000	1	125.1560	0.000	1	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:2:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Br<1>,1|Ir<6>,1|C<3>,1|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Ir<6>,1|C<3>,1|N<2>}	117.0980	0.000	1	117.0980	0.000	1	117.0980	0.000	1	117.0980	0.000	1	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:2:	3:3:3:	3:3:	C[5a,6]-3:N[6]-2:N-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NC)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	117.4550	0.000	1	117.4550	0.000	1	117.4130	0.004	2	117.4130	0.004	2	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:2:	3:3:3:	3:3:	C[5a,6]-3:N[6]-2:N-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	117.3710	0.000	1	117.3710	0.000	1	117.4130	0.004	2	117.4130	0.004	2	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6,6]H)	C[6](C[5a,6]C[5a,6,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(N[5a]C[5a])(C[6]N[6]N){1|C<4>,1|H<1>,2|C<3>}	N[6](C[6]C[5a,6]N)(C[6]N[6,6]H){1|N<2>,2|C<3>}	118.1090	0.000	1	118.1090	0.000	1	118.1090	0.000	1	118.2051	1.871	13	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCC)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCC){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Ru<6>,1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Ru<6>,1|C<3>,1|N<2>}	116.3390	0.000	1	116.3390	0.000	1	117.9094	1.027	11	118.2051	1.871	13	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Cd<6>,1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Cd<6>,1|C<3>,1|N<2>}	116.5740	0.396	2	117.7215	1.073	6	117.9094	1.027	11	118.2051	1.871	13	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Co<5>,1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Co<5>,1|C<3>,1|N<2>}	118.3740	0.000	1	117.7215	1.073	6	117.9094	1.027	11	118.2051	1.871	13	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Pt<4>,1|C<3>,1|N<2>}	118.0800	0.000	1	117.7215	1.073	6	117.9094	1.027	11	118.2051	1.871	13	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Rh<6>,1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Rh<6>,1|C<3>,1|N<2>}	117.5900	0.000	1	117.7215	1.073	6	117.9094	1.027	11	118.2051	1.871	13	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){2|Co<6>,1|C<3>,1|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Co<6>,1|C<3>,1|N<2>}	119.1370	0.000	1	117.7215	1.073	6	117.9094	1.027	11	118.2051	1.871	13	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,3|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N){1|Pd<4>,1|C<3>,1|N<2>}	118.6520	0.417	3	118.6520	0.174	3	117.9094	1.027	11	118.2051	1.871	13	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|N<2>,1|O<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N){1|C<3>,1|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<2>}	118.3790	0.000	1	118.3790	0.000	1	117.9094	1.027	11	118.2051	1.871	13	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	N[6](C[6]C[5a,6]N)(N[6]C[6]H){1|C<3>,2|N<2>}	121.5540	0.000	1	121.5540	0.000	1	121.5540	0.000	1	118.2051	1.871	13	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:2:3:	3:4:	C[5a,6]-3:N[6]-2:C-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CNO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C)	N[6](C[6]C[5a,6]C)(C[6]N[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CNO){1|C<3>,2|C<4>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C){1|C<3>,1|C<4>,2|H<1>}	N[6](C[6]C[5a,6]C)(C[6]N[6]CC){1|C<3>,1|H<1>,1|N<2>}	122.5290	0.000	1	122.5290	0.000	1	122.5290	0.000	1	122.5290	0.000	1	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:3:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]N){1|Cu<5>,1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|Cu<5>,2|C<3>}	119.0010	0.000	1	119.0010	0.000	1	119.0010	0.000	1	117.5510	1.207	20	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:3:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	117.4258	0.325	11	117.4258	0.106	11	117.3209	0.744	18	117.5510	1.207	20	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:3:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|H<1>,1|N<3>}	116.6494	1.302	5	116.6494	1.696	5	117.3209	0.744	18	117.5510	1.207	20	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:3:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]N)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]N){1|C<3>,1|H<1>,1|N<3>}	118.4080	0.000	1	118.4080	0.000	1	117.3209	0.744	18	117.5510	1.207	20	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:3:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Sn)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(C[6]N[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|Sn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Sn)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	N[6](C[6]C[5a,6]N)(C[6]N[6]H){1|C<3>,1|C<4>,1|N<3>}	118.4380	0.000	1	118.4380	0.000	1	117.3209	0.744	18	117.5510	1.207	20	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:3:3:	3:3:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N)	N[6](C[6]C[5a,6]N)(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN){1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N){1|H<1>,1|N<2>,1|N<3>}	N[6](C[6]C[5a,6]N)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>}	120.2410	0.000	1	120.2410	0.000	1	120.2410	0.000	1	117.5510	1.207	20	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:3:	3:3:3:	3:4:	C[5a,6]-3:N[6]-2:C-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	122.5620	0.280	2	122.5620	0.078	2	122.5620	0.078	2	122.5620	0.078	2	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:4:	3:2:3:	3:3:	C[5a,6]-3:N[6]-2:C-4:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:N[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(CH3)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]C)	N[6](C[6]C[5a,6]C)(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(CH3){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]N[6]C){1|C<3>,1|N<3>,2|C<4>}	N[6](C[6]C[5a,6]C)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<2>}	119.8190	0.000	1	119.8190	0.000	1	119.8190	0.000	1	119.8190	0.000	1	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:2:4:	3:3:3:	3:4:	C[5a,6]-3:N[6]-2:C-4:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	N[6](C[6]C[5a,6]C)(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	N[6](C[6]C[5a,6]C)(C[6]C[6]HH){1|C<3>,1|N<3>,2|H<1>}	120.3400	0.000	1	120.3400	0.000	1	120.3400	0.000	1	120.3400	0.000	1	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:2:	3:3:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:N[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]N[6])	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6])(N[5a]N[5a])	N[6](C[6]C[5a,6]C[6a])(N[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]N[6]){1|C<4>,1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[6]C[6a]N[6])(N[5a]N[5a]){1|N<2>,1|N<3>,3|C<3>}	N[6](C[6]C[5a,6]C[6a])(N[6]C[6]C){2|N<2>,3|C<3>}	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:C[5a]-3:N[6]-2:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a])	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6])	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[5a]C[5a]N[5a])(N[6]C[6,6a]){1|B<4>,1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[5a]N[6]){1|C<4>,1|N<3>,2|F<1>,5|C<3>}	N[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]C[5a]){1|H<1>,2|N<3>,4|C<3>}	121.1700	0.000	1	121.1700	0.000	1	121.1700	0.000	1	121.1700	0.000	1	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:4:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6])	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]N[6])(N[5a]C[5a]H)	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]CC)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(N[6]C[6]){2|C<4>,3|H<1>,5|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6a]N[6])(N[5a]C[5a]H){1|O<1>,2|C<4>,3|C<3>}	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]CC){1|N<3>,1|O<1>,3|C<3>}	119.2020	0.000	1	119.2020	0.000	1	119.2020	0.000	1	121.0047	2.491	3	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:4:	C[5a,6]-3:C[6a]-3:N[6]-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6])	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]N[6])	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6a]C[6a]N[6a])(N[6]C[6]){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6a]N[6]){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	121.6740	0.000	1	121.6740	0.000	1	121.6740	0.000	1	121.0047	2.491	3	118.7694	10.574	63	118.7694	10.574	63
762	727	914	6:SP2_SP2_SP2	C[6]	C[5a,6]	N[6]	3:3:2:	3:3:3:	3:4:	C[5a,6]-3:C[6a]-3:N[6]-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6])	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6])	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6a]C[6a]2)(N[6]C[6]){1|C<4>,4|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]C[6a])(C[6]C[6a]N[6]){1|C<4>,3|H<1>,5|C<3>}	N[6](C[6]C[5a,6]C[6a])(C[6]C[6]HH){1|N<3>,2|H<1>,3|C<3>}	122.1380	0.000	1	122.1380	0.000	1	122.1380	0.000	1	121.0047	2.491	3	118.7694	10.574	63	118.7694	10.574	63
762	727	922	0:SP2_SP2_SP3	C[6]	C[5a]	S[6]	3:3:2:	3:2:3:	3:4:1:	C[5a]-3:S[6]-3:N[6]-2:	C[5a]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[5a]C[5a]S[5a])(S[6]C[6]O)(N[6]O[6])	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]S[6])	S[6](C[6]C[5a]N[6])(C[6]C[6]HH)(O)	C[6](C[5a]C[5a]S[5a])(S[6]C[6]O)(N[6]O[6]){1|C<4>,2|C<3>,3|H<1>}	C[5a](C[5a]C[5a,6a]H)(S[5a]C[5a,6a])(C[6]N[6]S[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	S[6](C[6]C[5a]N[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,1|S<2>,2|H<1>}	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1	113.6940	0.000	1
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:2:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-2:C-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:N-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CNO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C)	C(C[6]C[5a,6]N[6])(NHH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CNO){1|C<3>,2|C<4>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5a,6]N[6])(NHH)(O)	123.0250	0.000	1	123.0250	0.000	1	123.0250	0.000	1	123.0250	0.000	1	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-2:C-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C(C[6]C[5a,6]N[6])(C[6a]C[6a]2)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(CC[6a]O){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]N[6])(C[6a]C[6a]2)(O)	121.2260	0.771	2	121.2260	0.594	2	121.2260	0.594	2	121.2260	0.594	2	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(COO)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,3|C<3>}	C(C[6]C[5a,6]C[6])(OC)(O)	116.9280	0.000	1	116.9280	0.000	1	118.2385	3.435	2	118.2385	3.435	2	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:2:3:	3:2:1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(COO)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(COO){1|C<4>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,1|H<1>,2|C<3>}	C(C[6]C[5a,6]C[6])(OC)(O)	119.5490	0.000	1	119.5490	0.000	1	118.2385	3.435	2	118.2385	3.435	2	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:C[6a]-3:O-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]C[6]C)(CC[6a]O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6]C){1|C<4>,3|C<3>}	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(O)	117.4200	0.000	1	117.4200	0.000	1	117.4200	0.000	1	122.4610	50.823	2	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:N-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C)	C(C[6]C[5a,6]N[6])(NHH)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(CNO){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]C){1|C<3>,1|C<4>,2|H<1>}	C(C[6]C[5a,6]N[6])(NHH)(O)	127.5020	0.000	1	127.5020	0.000	1	127.5020	0.000	1	122.4610	50.823	2	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:H-1:O-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CHO)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C)	C(C[6]C[5a,6]2)(H)(O)	C[6](C[5a,6]N[5a,6]C[5a])2(CHO){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]H)(C[6]C[5a,6]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C(C[6]C[5a,6]2)(H)(O)	119.0675	1.430	2	119.0675	2.046	2	119.0675	2.046	2	120.5996	2.320	16	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C(C[6]C[5a,6]2)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	C(C[6]C[5a,6]2)(H)2	120.5945	0.063	2	120.4017	0.083	4	120.4543	0.272	13	120.5996	2.320	16	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C(C[6]C[5a,6]2)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]Si[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	C(C[6]C[5a,6]2)(H)2	120.2090	0.308	2	120.4017	0.083	4	120.4543	0.272	13	120.5996	2.320	16	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CHH)	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C(C[6]C[5a,6]2)(H)2	C[6](C[5a,6]N[5a,6]C[5a])2(CHH){1|Si<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]Si[4,6]C[5a])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,4|C<4>}	C(C[6]C[5a,6]2)(H)2	120.4777	0.612	9	120.4777	0.375	9	120.4543	0.272	13	120.5996	2.320	16	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(COO)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]C)	C(C[6]C[5a,6]N[6])(O)2	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]C){1|C<3>,4|H<1>}	C(C[6]C[5a,6]N[6])(O)2	125.5520	0.000	1	125.5520	0.000	1	125.5520	0.000	1	120.5996	2.320	16	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO)	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[5a,6]C)(COO){1|H<1>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[5a])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C(C[6]C[5a,6]C[6])(OC)(O)	116.6380	0.000	1	116.6380	0.000	1	116.6380	0.000	1	122.9142	35.409	5	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(COO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C(C[6]C[5a,6]C[6])(OC)(O)	124.5050	0.000	1	124.5050	0.000	1	124.5050	0.000	1	122.9142	35.409	5	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C(C[6]C[5a,6]C[6])(OC)(O)	116.6400	0.000	1	116.6400	0.000	1	124.4760	46.199	3	122.9142	35.409	5	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:2:1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]N)(COO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(OC)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]N)(COO){1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6])(OC)(O)	128.3940	0.542	2	128.3940	0.293	2	124.4760	46.199	3	122.9142	35.409	5	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a]-3:C[6]-3:O-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]2)(O)	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]2)(O)	118.5303	0.416	3	118.8937	0.394	6	118.8937	0.394	6	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[5a]-3:C[6]-3:O-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]2)(O)	C[6](C[5a,6]N[5a,6]C[5a])2(CC[5a]O){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]2)(O)	119.2570	0.644	3	118.8937	0.394	6	118.8937	0.394	6	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	C(C[6]C[5a,6]2)(CC[6a]H)(H)	120.4040	0.000	1	119.7376	0.829	5	120.6112	8.302	34	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C(C[6]C[5a,6]2)(CC[6a]H)(H)	119.5710	0.960	4	119.7376	0.829	5	120.6112	8.302	34	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C(C[6]C[5a,6]2)(CHN)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C(C[6]C[5a,6]2)(CHN)(H)	120.8700	0.315	2	120.8700	0.099	2	120.6112	8.302	34	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C(C[6]C[5a,6]2)(CCN)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C(C[6]C[5a,6]2)(CCN)(H)	121.6875	3.074	4	121.6875	9.452	4	120.6112	8.302	34	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C(C[6]C[5a,6]2)(CC[6a]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C(C[6]C[5a,6]2)(CC[6a]C)(H)	119.7403	2.199	6	119.7403	4.836	6	120.6112	8.302	34	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C(C[6]C[5a,6]2)(CC[6a]H)(H)	119.7100	0.000	1	119.9818	4.167	5	120.6112	8.302	34	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C(C[6]C[5a,6]2)(CC[6a]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	C(C[6]C[5a,6]2)(CC[6a]H)(H)	120.0498	2.351	4	119.9818	4.167	5	120.6112	8.302	34	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C(C[6]C[5a,6]2)(CHN)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C(C[6]C[5a,6]2)(CHN)(H)	121.3003	3.380	8	121.3003	11.422	8	120.6112	8.302	34	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C(C[6]C[5a,6]2)(CN[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(CCH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C(C[6]C[5a,6]2)(CN[6]H)(H)	121.2125	5.803	4	121.2125	33.674	4	120.6112	8.302	34	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(CCH)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a,6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C(C[6]C[5a,6]C[6])(CCH)(H)	127.0615	0.636	2	127.0615	0.404	2	127.0615	0.404	2	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C(C[6]C[5a,6]N[6])(COO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6])(COO)(H)	124.3840	0.000	1	124.3840	0.000	1	124.3840	0.000	1	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-3:C-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N-3:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Pd)(CNO)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C)	C(C[6]C[5a,6]N[6])(NPdC)(O)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Pd)(CNO){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]C){1|Pd<4>,1|H<1>,3|C<3>}	C(C[6]C[5a,6]N[6])(NPdC)(O)	124.1600	0.000	1	124.1600	0.000	1	124.1600	0.000	1	120.8366	9.345	44	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:3:	C[5a,6]-3:C[5a,6]-3:C-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-3:C-3:	C[6](C[5a,6]N[5a,6]C[5a])2(CCC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C(C[6]C[5a,6]2)(CC[5]C)(CCC)	C[6](C[5a,6]N[5a,6]C[5a])2(CCC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C(C[6]C[5a,6]2)(CC[5]C)(CCC)	119.6440	0.058	2	119.6440	0.003	2	119.6440	0.003	2	119.6440	0.003	2	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:3:4:	C[5a,6]-3:C[6,6a]-3:C-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC[6a]C)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6,6a]C)	C(C[6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(CCHH)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6a]C[6,6a]C[6a])(CC[6a]C){1|C<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6,6a]C){2|H<1>,4|C<3>}	C(C[6]C[5a,6]C[6,6a])(C[6a]C[6a]2)(CCHH)	122.8730	0.279	2	122.8730	0.078	2	122.8730	0.078	2	122.8730	0.078	2	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-3:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C-4:O-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]C)(CCO)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(CH3)(O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]O[6]C)(CCO){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C(C[6]C[5a,6]C[6])(CH3)(O)	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	122.3030	0.000	1	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:2:3:	3:3:1:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]HH)(CC[6a]H){1|C<4>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|Br<1>,1|C<3>,1|C<4>,4|H<1>}	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:2:3:	3:4:1:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(CCH)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]HH)(CCH){1|C<4>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|N<3>,6|H<1>}	C(C[6]C[5a,6]C[6])(CC[6a]HH)(H)	127.9550	0.000	1	127.9550	0.000	1	127.9550	0.000	1	127.9550	0.000	1	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:1:1:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]CC)(CHH){2|C<3>,2|C<4>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	C(C[6]C[5a,6]C[6])(H)2	127.1090	0.000	1	127.1090	0.000	1	127.1090	0.000	1	127.1090	0.000	1	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:2:2:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C-2:C-2:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCC)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(CN)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CCC){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C(C[6]C[5a,6]C[6])(CN)2	125.6237	0.139	3	125.6237	0.019	3	125.6237	0.019	3	125.6237	0.019	3	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCH)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(CCH)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CCH){1|O<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C){2|C<4>,4|H<1>}	C(C[6]C[5a,6]C[6])(CCH)(H)	124.2530	0.000	1	124.2530	0.000	1	124.2530	0.000	1	123.9940	6.581	7	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|O<2>,2|C<4>,3|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]C){1|C<3>,1|C<4>,4|H<1>}	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	124.0200	0.000	1	124.0200	0.000	1	124.0200	0.000	1	123.9940	6.581	7	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[5a]-3:C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C)	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]C[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]HH)(CC[5a]H){2|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]C){1|N<3>,1|O<1>,4|H<1>}	C(C[5a]C[5a]N[5a])(C[6]C[5a,6]C[6])(H)	129.4290	0.000	1	129.4290	0.000	1	129.4290	0.000	1	123.9940	6.581	7	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(COO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]HH)(CCH){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|N<3>,1|S<4>,2|C<3>,5|H<1>}	C(C[6]C[5a,6]C[6])(COO)(H)	122.4550	0.000	1	122.4550	0.000	1	122.4550	0.000	1	123.9940	6.581	7	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]HH)(CC[6a]H){1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	123.6540	0.000	1	123.6540	0.000	1	123.6540	0.000	1	123.9940	6.581	7	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6]-4:C-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H)	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]HH)(CC[6a]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](N[5a,6]N[5a]C[6])(C[5a]C[5a]N)(C[6]C[6]C){1|C<4>,5|H<1>}	C(C[6]C[5a,6]C[6])(C[6a]C[6a]2)(H)	122.0735	0.124	2	122.0735	0.015	2	122.0735	0.015	2	123.9940	6.581	7	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[6,6]-4:C-3:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CCH)	C[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6,6]C)	C(C[6]C[5a,6]C[6,6])(CH3)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6]H)(CCH){1|C<4>,4|C<3>,4|H<1>}	C[5a,6](N[5a,6]C[6,6]C[5a])(C[5a]C[5a]H)(C[6]C[6,6]C){2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5a,6]C[6,6])(CH3)(H)	120.2250	0.000	1	120.2250	0.000	1	120.2250	0.000	1	120.7970	0.986	4	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:S-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CHS)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(SC[6a]OO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(CHS){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[6]C){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C(C[6]C[5a,6]C[6])(SC[6a]OO)(H)	122.2780	0.000	1	122.2780	0.000	1	122.2780	0.000	1	120.7970	0.986	4	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:P[6]-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(P[6]O[6]2O)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]O[6]CC)(CP[6]H){1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C(C[6]C[5a,6]C[6])(P[6]O[6]2O)(H)	120.4540	0.000	1	120.4540	0.000	1	120.4540	0.000	1	120.7970	0.986	4	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	3:4:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[6]-4:C-3:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:S-4:H-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHS)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(SC[6a]OO)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(CHS){2|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]N[6])(C[6]C[6]C){1|S<4>,2|C<3>,2|C<4>,3|H<1>}	C(C[6]C[5a,6]C[6])(SC[6a]OO)(H)	120.2310	0.000	1	120.2310	0.000	1	120.2310	0.000	1	120.7970	0.986	4	121.5102	9.896	95	121.5102	9.896	95
762	727	930	0:SP2_SP2_SP2	C[6]	C[5a,6]	C	4:3:3:	3:3:3:	3:1:1:	C[5,5,6,6]-4:C[5a,6]-3:C-3:	C[5a,6]-3:C[6]-3:N[5a]-3:	C[6]-3:H-1:H-1:	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5,5,6,6]C)(N[5a]C[5a,6a]H)	C(C[6]C[5,5,6,6]C[5a,6])(H)2	C[6](C[5,5,6,6]C[5,5,6]C[5,6]2)(C[5a,6]C[5a,6]N[5a])(CHH){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(C[6]C[5,5,6,6]C)(N[5a]C[5a,6a]H){2|C<4>,2|H<1>,3|C<3>}	C(C[6]C[5,5,6,6]C[5a,6])(H)2	123.8760	0.000	1	123.8760	0.000	1	123.8760	0.000	1	123.8760	0.000	1	121.5102	9.896	95	121.5102	9.896	95
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:2:	3:2:3:	3:1:	C[5a,6]-3:N[6]-2:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Br<1>,1|Ir<6>,1|C<3>,1|H<1>}	N(C[6]C[5a,6]N[6])(H)	124.6290	0.000	1	124.6290	0.000	1	124.6290	0.000	1	124.6290	0.000	1	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:2:	3:3:3:	3:1:	C[5a,6]-3:N[6]-2:N-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NH){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(H)	126.3840	0.000	1	126.3840	0.000	1	126.3840	0.000	1	126.3840	0.000	1	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:2:	3:3:3:	3:3:	C[5a,6]-3:O[6]-2:N-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a])	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]N)	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]O[6]N){4|C<3>}	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	127.9090	0.091	2	127.9090	0.008	2	126.9203	2.936	3	126.9203	2.936	3	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:2:	3:3:3:	3:3:	C[5a,6]-3:O[6]-2:N-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a])	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]O[6]N)	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	C[6](C[5a,6]C[5a,6]N[5a])(O[6]C[6])(NC[6a]){1|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]O[6]N){1|H<1>,5|C<3>}	N(C[6]C[5a,6]O[6])(C[6a]C[6a]2)	124.9430	0.000	1	124.9430	0.000	1	126.9203	2.936	3	126.9203	2.936	3	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:2:	3:3:3:	3:4:	C[5a,6]-3:N[6]-2:N-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NC)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(CCHH)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NC){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(CCHH)	123.9510	0.000	1	123.9510	0.000	1	123.9510	0.000	1	122.6487	2.039	3	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:2:	3:3:3:	3:4:	C[5a,6]-3:O[6]-2:N-2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:C[6]-4:	C[6](C[5a,6]C[5a,6a]N[5a,6])(O[6]C[6,6a])(NC[6])	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N)	N(C[6]C[5a,6]O[6])(C[6]C[6]2H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(O[6]C[6,6a])(NC[6]){1|N<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[6,6a]N[5a])(C[6]O[6]N){1|H<1>,4|C<3>}	N(C[6]C[5a,6]O[6])(C[6]C[6]2H)	121.1220	0.000	1	121.1220	0.000	1	121.1220	0.000	1	122.6487	2.039	3	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:2:	3:3:3:	3:4:	C[5a,6]-3:O[6]-2:N-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C-4:	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(NC)	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N)	N(C[6]C[5a,6]O[6])(CC3)	C[6](C[5a,6]N[5a,6]C[5a])(O[6]C[6,6a])(NC){2|N<2>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]O[6]N){4|C<3>}	N(C[6]C[5a,6]O[6])(CC3)	122.8730	0.000	1	122.8730	0.000	1	122.8730	0.000	1	122.6487	2.039	3	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:2:3:	3:1:	C[5a,6]-3:C[6]-3:N-2:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(NH)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]N)	N(C[6]C[5a,6]C[6])(H)	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]O)(NH){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]N){1|C<3>,1|H<1>,1|N<3>,2|O<1>}	N(C[6]C[5a,6]C[6])(H)	123.4120	0.000	1	123.4120	0.000	1	123.4120	0.000	1	128.8999	8.175	8	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:2:3:	3:1:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NH){1|H<1>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N){1|C<3>,2|C<4>}	N(C[6]C[5a,6]N[6])(H)	130.7982	0.517	5	130.7982	0.267	5	129.6839	3.801	7	128.8999	8.175	8	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:2:3:	3:1:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N(C[6]C[5a,6]N[6])(H)	126.9490	0.000	1	126.8980	0.005	2	129.6839	3.801	7	128.8999	8.175	8	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:2:3:	3:1:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pt<4>,1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(H)	126.8470	0.000	1	126.8980	0.005	2	129.6839	3.801	7	128.8999	8.175	8	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:2:3:	3:3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C[6a]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a])	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(C[6a]C[6a]N[6a])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]C)(NC[6a]){1|C<3>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]N[6]N){1|C<4>,1|N<2>,2|C<3>}	N(C[6]C[5a,6]N[6])(C[6a]C[6a]N[6a])	129.6610	0.000	1	129.6610	0.000	1	129.6610	0.000	1	122.9795	89.285	2	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:2:3:	3:3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:N-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(NOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,3|H<1>}	N(C[6]C[5a,6]N[6])(NOO)	116.2980	0.000	1	116.2980	0.000	1	116.2980	0.000	1	122.9795	89.285	2	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:3:3:	3:1:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]S)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6a]C[6])(NH){1|N<3>,1|O<2>,1|S<2>,2|C<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]S)(C[6]N[6]N){3|C<3>}	N(C[6]C[5a,6]N[6])(H)	123.7235	0.446	2	123.7235	0.199	2	123.7235	0.199	2	123.7235	0.199	2	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:3:3:	3:2:	C[5a,6]-3:C[6,6a]-3:N-2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:O-2:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(NO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]N)	N(C[6]C[5a,6]C[6,6a])(OC)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6a]C[6,6a]C[6a])(NO){1|C<4>,1|H<1>,1|N<2>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6,6a]N){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	N(C[6]C[5a,6]C[6,6a])(OC)	127.0830	0.000	1	127.0830	0.000	1	127.0830	0.000	1	121.3720	10.529	6	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:3:3:	3:2:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:O-2:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(OC)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NO){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[5a,6]N[6])(OC)	121.7070	0.000	1	121.7070	0.000	1	121.7070	0.000	1	121.3720	10.529	6	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:3:3:	3:2:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N-2:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(NC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN){1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	N(C[6]C[5a,6]N[6])(NC)	120.7093	1.032	3	120.7093	1.066	3	120.7093	1.066	3	121.3720	10.529	6	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:3:3:	3:2:	C[5a,6]-3:N[6]-3:N-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N-2:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(NC)	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a]H)(NN){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]N){2|C<3>,3|H<1>}	N(C[6]C[5a,6]N[6])(NC)	117.3140	0.000	1	117.3140	0.000	1	117.3140	0.000	1	121.3720	10.529	6	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(NOO)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6]H)(NN){1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(NOO)	116.1010	0.000	1	116.1010	0.000	1	116.1010	0.000	1	118.8965	3.657	4	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:2:	3:3:3:	3:3:	C[5a,6]-3:N[6]-3:N-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:N-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(NRuC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6,6a]H)(NN){1|N<3>,4|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[6,6a]N[5a])(C[6]N[6]N){3|H<1>,4|C<3>}	N(C[6]C[5a,6]N[6])(NRuC)	119.8283	0.525	3	119.8283	0.275	3	119.8283	0.275	3	118.8965	3.657	4	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:4:2:	3:3:3:	3:2:	C[5a,6]-3:C[6]-4:N-2:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:O-2:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(NO)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N)	N(C[6]C[5a,6]C[6])(OH)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(NO){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]N){2|C<3>,2|C<4>,5|H<1>}	N(C[6]C[5a,6]C[6])(OH)	118.3470	0.000	1	118.3470	0.000	1	118.3470	0.000	1	118.3470	0.000	1	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:4:2:	3:3:3:	3:3:	C[5a,6]-3:C[6]-4:N-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:S-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]N)	N(C[6]C[5a,6]C[6])(SCO)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]CH)(NS){1|C<3>,1|C<4>,1|S<2>,3|H<1>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]N){2|C<4>,4|H<1>}	N(C[6]C[5a,6]C[6])(SCO)	117.9190	0.000	1	117.9190	0.000	1	117.9190	0.000	1	117.4815	0.383	2	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:4:2:	3:3:3:	3:3:	C[5a,6]-3:C[6]-4:N-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NN)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N)	N(C[6]C[5a,6]C[6])(NCH)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NN){1|C<4>,2|C<3>,3|H<1>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,4|H<1>}	N(C[6]C[5a,6]C[6])(NCH)	117.0440	0.000	1	117.0440	0.000	1	117.0440	0.000	1	117.4815	0.383	2	123.6002	21.773	34	123.6002	21.773	34
762	727	941	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:4:2:	3:3:3:	3:4:	C[5a,6]-3:C[6]-4:N-2:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:S-4:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NS)	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N)	N(C[6]C[5a,6]C[6])(SC[6a]OO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]HH)(NS){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(N[5a]C[5a,6a]C)(C[6]C[6]N){1|C<4>,2|C<3>,2|H<1>}	N(C[6]C[5a,6]C[6])(SC[6a]OO)	120.9550	0.000	1	120.9550	0.000	1	120.9550	0.000	1	120.9550	0.000	1	123.6002	21.773	34	123.6002	21.773	34
762	727	944	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	I	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:I-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]S[6])(I)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I)	I(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]S[6])(I){2|C<3>,2|C<4>,2|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a]C)(C[6]C[6]I){1|C<3>,1|S<2>,2|H<1>}	I(C[6]C[5a,6]C[6])	121.4640	0.000	1	121.4640	0.000	1	121.4640	0.000	1	121.4640	0.000	1	121.4640	0.000	1	121.4640	0.000	1
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:	3:2:3:	3:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6])(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5a,6]C[6])	122.9390	0.000	1	122.9390	0.000	1	122.9390	0.000	1	122.9390	0.000	1	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:	3:3:3:	3:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]2)(C[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|Ge<6>,1|H<1>,1|N<2>,2|C<3>}	H(C[6]C[5a,6]C[6])	121.6900	0.000	1	121.6900	0.000	1	121.6900	0.000	1	119.6803	17.187	10	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:	3:3:3:	3:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|C<2>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6])	119.8240	0.000	1	119.8240	0.000	1	123.7433	29.532	3	119.6803	17.187	10	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:	3:3:3:	3:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.4590	0.000	1	121.4590	0.000	1	123.7433	29.532	3	119.6803	17.187	10	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:	3:3:3:	3:	C[5a,6]-3:C[6]-2:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6])(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	129.9470	0.000	1	129.9470	0.000	1	123.7433	29.532	3	119.6803	17.187	10	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:	3:3:3:	3:	C[5a,6]-3:N[6]-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a])(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6,6a])(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]C[5a]H)(C[6]N[6]H){1|H<1>,1|S<2>,2|C<3>}	H(C[6]C[5a,6]N[6])	117.6945	0.016	2	117.6945	0.000	2	116.9150	0.920	5	119.6803	17.187	10	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:	3:3:3:	3:	C[5a,6]-3:N[6]-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]C[6])(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]N[6]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5a,6]N[6])	117.4280	0.000	1	117.4280	0.000	1	116.9150	0.920	5	119.6803	17.187	10	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:	3:3:3:	3:	C[5a,6]-3:N[6]-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H){1|B<4>,1|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]N[6])	116.0420	0.000	1	116.0420	0.000	1	116.9150	0.920	5	119.6803	17.187	10	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:	3:3:3:	3:	C[5a,6]-3:N[6]-2:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6]N[6])(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6]H){1|N<3>,2|F<1>,2|H<1>}	H(C[6]C[5a,6]N[6])	115.7160	0.000	1	115.7160	0.000	1	116.9150	0.920	5	119.6803	17.187	10	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:2:1:	3:3:3:	3:	C[5a,6]-3:S[6]-2:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]S[6]H)	H(C[6]C[5a,6]S[6])	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(H){1|S<1>,1|S<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]S)(C[6]S[6]H){1|C<4>,3|C<3>}	H(C[6]C[5a,6]S[6])	119.3080	0.000	1	119.3080	0.000	1	119.3080	0.000	1	119.6803	17.187	10	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6,6a]H)	H(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]S[6])(S[5a]C[5a,6a])(C[6]C[6,6a]H){4|C<3>}	H(C[6]C[5a,6]C[6,6a])	118.4610	0.000	1	118.4610	0.000	1	118.4610	0.000	1	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]C[6]H){1|C<3>,1|O<1>,3|H<1>}	H(C[6]C[5a,6]C[6])	124.7700	0.000	1	124.7700	0.000	1	121.1987	9.578	3	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(N[5a]C[5a])(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6])	119.3030	0.000	1	119.3030	0.000	1	121.1987	9.578	3	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]N[5a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	119.5230	0.000	1	119.5230	0.000	1	121.1987	9.578	3	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]O[5a]N[6])(O[5a]B[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>}	C[5a,6](C[5a,6]O[5a]N[6])(O[5a]B[5a])(C[6]C[6]H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6])	121.6090	0.000	1	121.6090	0.000	1	122.1759	0.103	8	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Co<4>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	122.0560	0.000	1	122.0795	0.001	2	122.1759	0.103	8	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Cu<5>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(O[5a]C[5a,6a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	122.1030	0.000	1	122.0795	0.001	2	122.1759	0.103	8	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Ir<6>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	122.4787	0.110	3	122.3278	0.067	5	122.1759	0.103	8	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6]N[6]H)(H){1|Ni<6>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6])	122.1015	0.267	2	122.3278	0.067	5	122.1759	0.103	8	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6]N[6]H)(H){1|Ir<6>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	121.6225	0.083	2	121.6225	0.007	2	121.6225	0.007	2	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	121.2260	0.000	1	121.0047	0.061	3	121.0047	0.061	3	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(N[5a]C[5a])(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.8940	0.221	2	121.0047	0.061	3	121.0047	0.061	3	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]H)(H){4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6,6a])(N[5a]C[5a,6a])(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.0850	0.000	1	120.0850	0.000	1	120.3195	0.240	6	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,5a]C[6])(N[5a]C[5a,5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,5a]C[6])(N[5a]C[5a,5a])(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	119.8750	0.000	1	119.8750	0.000	1	120.3195	0.240	6	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(N[5a]C[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	120.4890	0.000	1	120.4890	0.000	1	120.3195	0.240	6	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a])(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	120.6260	0.000	1	120.6260	0.000	1	120.3195	0.240	6	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]N[5a])(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6])	121.0550	0.000	1	121.0550	0.000	1	120.3195	0.240	6	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]S[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]S[5a])(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[5a,6]C[6])	119.7870	0.000	1	119.7870	0.000	1	120.3195	0.240	6	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6])	121.2950	0.000	1	121.2950	0.000	1	121.2950	0.000	1	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]Zn)(H)	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]O[5a])(N[6]C[6]Zn)(H){4|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]N[6]H){1|Zn<6>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6])	120.5178	0.177	4	120.5178	0.031	4	120.5178	0.031	4	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(H){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(S[5a]C[5a,6a])(C[6]N[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]N[6])	120.4500	0.000	1	120.4500	0.000	1	120.4500	0.000	1	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:2:3:	3:	C[5a,6]-3:N[6]-3:H-1:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]N[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a])(C[6]N[6]H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	H(C[6]C[5a,6]N[6])	120.8740	0.000	1	120.8740	0.000	1	120.8740	0.000	1	121.0777	1.505	30	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]N[5a])	H(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|N<2>,2|H<1>,4|C<4>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]N[5a]){2|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6,6])	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	120.4860	0.051	6	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a])	H(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|C<3>,1|N<3>,1|S<2>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a]){1|C<3>,1|C<4>,1|S<2>}	H(C[6]C[5a,6]C[6,6])	120.5440	0.020	2	120.5420	0.000	4	120.5420	0.000	4	120.4860	0.051	6	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6]-3:H-1:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a])	H(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|N<3>,1|S<2>,3|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[6]C[6,6]H)(S[5a]S[5a]){1|C<3>,1|C<4>,1|S<2>}	H(C[6]C[5a,6]C[6,6])	120.5400	0.000	2	120.5420	0.000	4	120.5420	0.000	4	120.4860	0.051	6	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:2:	3:	C[5a,6]-3:C[6,6a]-3:H-1:	N[5a,6]-3:C[6]-3:N[5a]-2:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]H)(N[5a]N[5a])	H(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6,6a]C[6,6a]C[6a])(H){1|H<1>,1|N<3>,4|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[6]C[6,6a]H)(N[5a]N[5a]){1|Rh<4>,1|C<4>,3|C<3>}	H(C[6]C[5a,6]C[6,6a])	120.7020	0.000	1	120.7020	0.000	1	120.7020	0.000	1	120.4860	0.051	6	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5,6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6,6]N[5])(H)	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5a]C[5a]H)(C[6]C[5,6]H)	H(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6]C[5a])(C[5,6]C[5,6,6]N[5])(H){1|C<3>,1|S<2>,1|S<4>,2|H<1>,3|C<4>}	C[5a,6](C[5a,6]C[6,6]S[5a])(C[5a]C[5a]H)(C[6]C[5,6]H){1|N<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[5,6])	121.4240	0.000	1	121.4240	0.000	1	121.4240	0.000	1	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H)	H(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|Br<1>,1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]C[5,6])	119.1700	0.000	1	118.9615	0.087	2	118.7740	0.149	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H)	H(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|Br<1>,1|B<4>,1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]C[5,6]H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	H(C[6]C[5a,6]C[5,6])	118.7530	0.000	1	118.9615	0.087	2	118.7740	0.149	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H)	H(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]N[5a,6]C[5a])(C[5,6]N[5,6]C[5])(H){1|B<4>,3|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5,6]H){1|N<3>,2|C<3>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]C[5,6])	118.3990	0.000	1	118.3990	0.000	1	118.7740	0.149	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6,6]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6,6]C[5a,6,6]C[3x6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>,3|C<4>}	H(C[6]C[5a,6]2)	118.9265	0.046	2	118.9265	0.002	2	118.9265	0.002	2	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>,3|C<4>}	H(C[6]C[5a,6]2)	118.8970	0.000	1	118.8970	0.000	1	118.8970	0.000	1	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	H(C[6]C[5a,6]2)	118.6062	0.239	5	118.7600	0.122	9	118.6045	0.963	21	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,3|C<3>,3|F<1>}	H(C[6]C[5a,6]2)	119.3880	0.000	1	118.7600	0.122	9	118.6045	0.963	21	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){2|N<3>,3|C<3>,3|F<1>}	H(C[6]C[5a,6]2)	119.1850	0.000	1	118.7600	0.122	9	118.6045	0.963	21	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	H(C[6]C[5a,6]2)	118.6180	0.109	2	118.7600	0.122	9	118.6045	0.963	21	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H){1|B<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|C<2>,4|C<3>}	H(C[6]C[5a,6]2)	118.2620	0.018	2	118.4879	1.627	12	118.6045	0.963	21	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6a]N[5a,6])2(H){1|B<4>,6|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]C[5a]B[6])(C[6]C[5a,6]H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	H(C[6]C[5a,6]2)	118.5331	1.405	10	118.4879	1.627	12	118.6045	0.963	21	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,4|C<3>}	H(C[6]C[5a,6]2)	118.6350	0.000	1	118.8060	0.027	3	118.8060	0.027	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]B[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[5a,6]H){1|H<1>,1|N<3>,1|O<2>,5|C<3>}	H(C[6]C[5a,6]2)	118.8915	0.105	2	118.8060	0.027	3	118.8060	0.027	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	H(C[6]C[5a,6]2)	116.7140	0.493	3	116.6619	0.145	7	117.2674	2.726	40	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,3|C<3>,3|N<3>}	H(C[6]C[5a,6]2)	116.1010	0.000	1	116.6619	0.145	7	117.2674	2.726	40	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,2|C<3>,3|N<3>}	H(C[6]C[5a,6]2)	116.7700	0.057	2	116.6619	0.145	7	117.2674	2.726	40	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,3|C<3>,3|N<3>}	H(C[6]C[5a,6]2)	116.8500	0.000	1	116.6619	0.145	7	117.2674	2.726	40	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|Ga<5>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	H(C[6]C[5a,6]2)	116.5195	0.022	2	116.5195	0.000	2	117.2674	2.726	40	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|In<5>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]In[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	H(C[6]C[5a,6]2)	115.8095	0.271	15	115.8095	0.073	15	117.2674	2.726	40	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|P<6>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|O<2>,3|C<3>,3|N<3>}	H(C[6]C[5a,6]2)	119.0946	0.852	8	118.9924	1.417	16	117.2674	2.726	40	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a])2(H)	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6,6]C[5a])2(H){1|P<6>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]P[4x6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|O<2>,2|C<3>,2|C<4>,3|N<3>}	H(C[6]C[5a,6]2)	118.8902	1.512	8	118.9924	1.417	16	117.2674	2.726	40	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5,5a]B[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5,5a]B[6])(C[5a]C[5,5a]H)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	H(C[6]C[5a,6]2)	118.6660	0.000	1	118.6660	0.000	1	118.7503	0.348	12	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]C[6a])(C[6]C[5a,6]H){1|N<3>,1|S<2>,2|F<1>,4|C<3>}	H(C[6]C[5a,6]2)	118.1835	0.149	2	118.1835	0.022	2	118.7503	0.348	12	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,5a]B[6])(C[5a]C[5a,5a]H)(C[6]C[5a,6]H){1|N<3>,1|O<2>,2|C<3>,2|F<1>}	H(C[6]C[5a,6]2)	119.2040	0.000	1	119.2040	0.000	1	118.7503	0.348	12	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]B[6])(C[5a]C[5a,6]C)(C[6]C[5a,6]H){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	H(C[6]C[5a,6]2)	118.4935	0.117	2	118.4935	0.014	2	118.7503	0.348	12	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]B[6])(C[5a]C[5a,6a]C)(C[6]C[5a,6]H){1|N<3>,2|F<1>,3|C<3>}	H(C[6]C[5a,6]2)	118.4125	0.169	2	118.4125	0.029	2	118.7503	0.348	12	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]H){1|N<3>,2|F<1>,5|C<3>}	H(C[6]C[5a,6]2)	119.2387	0.728	4	119.2387	0.530	4	118.7503	0.348	12	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	H(C[6]C[5a,6]2)	118.9840	0.017	2	118.9840	0.000	2	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	118.9140	0.000	1	118.9140	0.000	1	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	118.7495	0.394	6	118.8011	0.148	7	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	H(C[6]C[5a,6]2)	119.1110	0.000	1	118.8011	0.148	7	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	118.7440	0.000	1	118.6875	0.006	2	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	H(C[6]C[5a,6]2)	118.6310	0.000	1	118.6875	0.006	2	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,1|O<2>,3|C<4>}	H(C[6]C[5a,6]2)	118.6750	0.000	1	118.8097	0.021	3	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H)	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6,6]C[5a,6a])(C[5a,6]N[5a,6]C[5a])(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6]B[6,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]2)	118.8770	0.120	2	118.8097	0.021	3	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]2)	118.7115	0.078	4	118.7096	0.219	8	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]B[5,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]2)	118.7078	0.711	4	118.7096	0.219	8	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]B[5a,6]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<2>}	H(C[6]C[5a,6]2)	118.9858	0.079	6	118.9858	0.006	6	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]B[6,6a]C[5a])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]2)	118.7933	0.063	4	118.7933	0.004	4	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]2)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]2){2|Br<1>,1|N<3>,1|S<2>,2|C<3>,2|F<1>}	H(C[6]C[5a,6]2)	118.6580	0.000	1	118.6580	0.000	1	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<2>,1|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	119.4410	0.000	1	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<2>,1|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	H(C[6]C[5a,6]2)	119.2400	0.000	1	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	120.3598	1.708	4	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	H(C[6]C[5a,6]2)	118.8456	0.131	5	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	119.4830	0.000	1	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|O<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	H(C[6]C[5a,6]2)	119.1670	0.000	1	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	H(C[6]C[5a,6]2)	118.6370	0.000	1	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|Br<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	118.6970	0.000	1	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>}	H(C[6]C[5a,6]2)	118.9142	0.158	4	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	118.9710	0.110	3	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|F<1>,1|H<1>,1|N<3>,2|C<4>}	H(C[6]C[5a,6]2)	118.8860	0.037	2	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	H(C[6]C[5a,6]2)	118.5926	0.225	5	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	H(C[6]C[5a,6]2)	118.5527	0.403	9	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|C<4>,2|N<3>,3|C<3>}	H(C[6]C[5a,6]2)	119.2600	0.000	1	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|F<1>,1|N<3>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]2)	118.6875	0.029	2	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]C){1|N<3>,2|C<4>,3|C<3>}	H(C[6]C[5a,6]2)	119.2160	0.000	1	118.9634	0.527	42	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|Br<1>,1|Pd<4>,1|C<3>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	118.9840	0.000	1	118.4209	0.778	17	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<2>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	117.0240	2.285	2	118.4209	0.778	17	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	118.6996	0.245	5	118.4209	0.778	17	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|H<1>,1|I<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	117.8600	0.000	1	118.4209	0.778	17	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	119.0200	0.000	1	118.4209	0.778	17	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	118.1240	0.073	4	118.4209	0.778	17	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|C<4>,2|F<1>}	H(C[6]C[5a,6]2)	118.9810	0.000	1	118.4209	0.778	17	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	H(C[6]C[5a,6]2)	119.1345	0.005	2	118.4209	0.778	17	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|O<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	H(C[6]C[5a,6]2)	119.1570	0.000	1	119.4327	0.057	3	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,2|O<2>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]C[5a]O){1|Br<1>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]2)	119.5705	0.008	2	119.4327	0.057	3	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[5a,6]-3:H-1:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])2(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O)	H(C[6]C[5a,6]2)	C[6](C[5a,6]N[5a,6]C[5a])2(H){1|B<4>,1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]H)(C[5a]N[5a]O){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	H(C[6]C[5a,6]2)	119.5290	0.000	1	119.5290	0.000	1	118.8367	0.440	97	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6])(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]H)	H(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6,6]H){2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6,6])	119.9230	0.000	1	119.9230	0.000	1	119.9230	0.000	1	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6,6a]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6,6a]H)(H){1|B<4>,1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]C[6,6a]B[5a])(C[6]C[6]H){1|H<1>,2|F<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.8870	0.000	1	120.8870	0.000	1	120.2164	2.588	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.8890	0.000	2	119.7922	3.478	6	120.2164	2.588	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	120.9660	0.000	1	119.7922	3.478	6	120.2164	2.588	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,5a]N[5a,5a]C[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6])	118.6697	2.216	3	119.7922	3.478	6	120.2164	2.588	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	121.0420	0.000	1	121.1540	0.025	2	120.2164	2.588	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,5a]N[5a,5a]N[5a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|F<1>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	121.2660	0.000	1	121.1540	0.025	2	120.2164	2.588	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6,6]C[5a,6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	C[5a,6](C[5a,6,6]N[5a,6]C[6,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|B<4>,1|C<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6,6]C[5a])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[5a,6](C[5a,6,6]C[5a,6]C[6,6])(C[5a]O[5a]H)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	H(C[6]C[5a,6]C[6])	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a,6,6]N[6])(C[5a,6]C[5a,6]C[6])(C[6]C[6]H){1|Ge<6>,1|C<2>,1|C<3>,1|N<2>,2|H<1>}	H(C[6]C[5a,6]C[6])	123.0300	0.000	1	123.0300	0.000	1	121.9605	2.288	2	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]2)(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|H<1>}	H(C[6]C[5a,6]C[6])	120.8910	0.000	1	120.8910	0.000	1	121.9605	2.288	2	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[5a,6](C[5a,6]C[5a]C[6])(C[5a]O[5a]H)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.2440	0.000	1	120.2440	0.000	1	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C)(C[6]C[6]H){1|Rh<5>,1|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	121.2120	0.000	1	121.2120	0.000	1	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|Rh<5>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	120.7845	0.176	2	120.7845	0.031	2	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Fe<4>,2|Li<4>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.0760	0.000	1	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.0675	0.013	2	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.1305	0.148	2	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Cu<5>,1|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	121.0180	0.000	1	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Fe<4>,1|Li<4>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.0380	0.000	1	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ir<6>,1|B<4>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.8830	0.369	2	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ir<7>,1|B<4>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.0105	0.035	2	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Li<4>,1|B<4>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.1695	0.050	6	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|P<4>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.4826	0.932	5	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	121.1140	0.000	1	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.8968	0.233	6	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.4855	0.108	2	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.8599	0.400	15	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,1|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	121.1030	0.000	1	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.9544	0.226	7	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<5>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.2355	0.135	2	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Pt<6>,1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.3130	0.209	2	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<4>,1|C<3>,1|P<4>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.7033	0.145	3	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<5>,1|B<4>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.9590	0.000	1	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<5>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.4440	0.000	1	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<6>,1|B<5>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.8920	0.000	1	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<7>,1|B<4>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.1310	0.148	9	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Rh<8>,1|B<5>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.2798	0.131	4	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|B<5>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.0411	0.235	9	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	124.1570	0.000	1	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<7>,1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.1673	0.069	3	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<8>,1|B<4>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.3515	0.151	2	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<8>,1|B<5>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.3470	0.513	2	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<9>,1|B<5>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.5325	0.182	2	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Ru<9>,1|Si<4>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.0230	0.000	1	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	120.0915	1.127	4	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]C[6]H){2|Cu<4>,1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.6063	0.552	3	121.0326	0.294	104	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C[5])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]C[5])(C[6]C[6]H){1|Os<9>,1|C<3>,2|H<1>,2|N<3>}	H(C[6]C[5a,6]C[6])	120.8510	0.000	1	120.8510	0.000	1	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5a,6]C[6])	117.1760	0.000	1	117.1760	0.000	1	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]N[6])(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6])	121.3243	0.071	3	121.3243	0.005	3	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,1|S<1>}	H(C[6]C[5a,6]C[6])	120.9700	0.000	1	120.8853	0.005	3	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,1|I<1>,1|N<3>,1|S<1>}	H(C[6]C[5a,6]C[6])	120.8410	0.000	1	120.8853	0.005	3	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]C[5a])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[5a,6](C[5a,6]S[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){1|N<3>,1|S<1>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.8450	0.000	1	120.8853	0.005	3	120.9920	0.401	116	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	119.7090	0.033	2	119.6630	0.007	3	119.6630	0.007	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H)	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]N[5a,6]C[6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,1|S<3>,3|C<3>}	H(C[6]C[5a,6]C[6])	119.5710	0.000	1	119.6630	0.007	3	119.6630	0.007	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.1690	0.243	2	120.1690	0.059	2	121.2442	2.431	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|C<2>,1|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	124.8570	0.000	1	124.8570	0.000	1	121.2442	2.431	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]C[6a])(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	121.1290	0.000	1	121.1290	0.000	1	121.2442	2.431	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.4220	0.000	1	121.4220	0.000	1	121.2442	2.431	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]N[5a]H)(C[6]C[6]H){1|C<2>,3|H<1>}	H(C[6]C[5a,6]C[6])	119.5770	0.000	1	119.5770	0.000	1	121.2442	2.431	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Zn)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|Zn<5>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]Zn)(C[6]C[6]H){1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6])	120.4320	0.000	1	120.4320	0.000	1	121.2442	2.431	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	H(C[6]C[5a,6]C[6])	121.9270	0.000	1	121.9270	0.000	1	121.2442	2.431	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H)	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6]N[5a])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	121.5160	0.000	1	121.5160	0.000	1	121.2442	2.431	9	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.8730	0.000	1	120.8730	0.000	1	120.9161	0.109	14	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	120.6530	0.000	1	120.6530	0.000	1	120.9161	0.109	14	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[5,6]C)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]C[5,6]N[5a])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[6])	120.6300	0.000	1	120.6300	0.000	1	120.9161	0.109	14	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	121.3140	0.111	3	120.9501	0.132	10	120.9161	0.109	14	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	120.8380	0.096	3	120.9501	0.132	10	120.9161	0.109	14	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	121.1580	0.000	1	120.9501	0.132	10	120.9161	0.109	14	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	H(C[6]C[5a,6]C[6])	120.3975	0.199	2	120.9501	0.132	10	120.9161	0.109	14	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	121.0920	0.000	1	120.9501	0.132	10	120.9161	0.109	14	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]H)(H){1|C<4>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]S[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	121.1680	0.000	1	121.1680	0.000	1	120.9161	0.109	14	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(N[5a,6]N[5a]C[6])(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	116.2370	0.000	1	116.2370	0.000	1	118.2597	4.875	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|B<3>,3|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.6150	0.000	1	119.2710	3.613	2	118.2597	4.875	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6a]N[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	117.9270	0.000	1	119.2710	3.613	2	118.2597	4.875	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5,5a,6]C[5a])(C[6]C[6]H)(H){1|B<3>,1|C<4>,2|C<3>,2|H<1>}	C[5a,6](N[5,5a,6]C[5,5a]C[5,6])(C[5a]C[5a]B)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.6997	0.294	3	120.6888	0.075	13	120.6888	0.075	13	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6])	120.6856	0.284	10	120.6888	0.075	13	120.6888	0.075	13	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]2)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.9670	0.000	1	120.9670	0.000	1	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]B)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]B)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	120.5980	0.000	1	120.5980	0.000	1	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.6900	0.000	1	120.7210	0.002	2	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	120.7520	0.000	1	120.7210	0.002	2	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6])(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	H(C[6]C[5a,6]C[6])	120.4925	0.241	2	120.4925	0.058	2	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,1|N<2>,5|C<3>}	H(C[6]C[5a,6]C[6])	120.7340	0.000	1	120.3759	0.041	7	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|H<1>,6|C<3>}	H(C[6]C[5a,6]C[6])	120.2757	0.200	3	120.3759	0.041	7	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.3840	0.031	2	120.3759	0.041	7	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6])	120.3020	0.000	1	120.3759	0.041	7	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[5a]H)(C[6]C[6]H){1|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.5605	0.101	2	120.5605	0.010	2	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]C[6a]N[5a])(C[6]C[6]H){1|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6])	120.5870	0.000	1	120.5870	0.000	1	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[5a,6](N[5a,5a,6]C[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	120.6750	0.000	1	120.6750	0.000	1	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a,6]Se[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|Se<3>,1|C<3>,1|N<3>,2|H<1>}	C[5a,6](N[5a,5a,6]Se[5a,5a]C[5a,6])(C[5a]N[5a]H)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	H(C[6]C[5a,6]C[6])	120.5310	0.000	1	120.5310	0.000	1	120.5298	0.046	18	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,5a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,5a]C[5a,5a]C[5a,6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){2|Cl<1>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]C[6])	121.2310	0.000	1	121.2310	0.000	1	121.2310	0.000	1	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6,6a]-3:C[5a,6a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,6a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6])	120.2360	0.000	1	120.2360	0.000	1	120.2360	0.000	1	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5,5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6,6a]H)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5,5a]N[5a,6])(C[6]C[6,6a]H)(H){5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5,5a]C[5,5a]C[5])(C[6]C[6]H){1|H<1>,1|O<1>,5|C<3>}	H(C[6]C[5a,6]C[6])	120.1170	0.000	1	120.1170	0.000	1	120.1170	0.000	1	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<8>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6])	119.8380	0.000	1	119.8315	0.000	2	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H)	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[5a,6](N[5a,6]N[5,6]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Rh<6>,1|C<4>,1|H<1>,2|C<3>}	H(C[6]C[5a,6]C[6])	119.8250	0.000	1	119.8315	0.000	2	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H)	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a,6]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6,6a])(C[5a]C[5a,6]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	H(C[6]C[5a,6]C[6])	119.5130	0.000	1	119.5130	0.000	1	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H)	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(C[5a]N[5a]H)(C[6]C[6]H){1|Pd<4>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	120.1737	0.071	4	120.1737	0.005	4	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	119.4655	0.076	2	119.4655	0.006	2	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]C[6])	119.4910	0.000	1	119.4910	0.000	1	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5,6]C[5a])(C[5a]C[5a]H)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	119.0645	0.209	2	119.0645	0.044	2	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|F<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	116.1900	0.000	1	118.0300	6.771	2	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6]C[6])(C[5a]C[5a,6]C)(C[6]C[6]H){2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	119.8700	0.000	1	118.0300	6.771	2	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]C[6a])(C[6]C[6]H){2|H<1>,5|C<3>}	H(C[6]C[5a,6]C[6])	120.0990	0.000	1	120.0990	0.000	1	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]H){3|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6])	119.7170	0.000	1	119.7170	0.000	1	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Ir<6>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	119.9206	0.363	5	120.2190	0.288	9	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.3560	0.000	1	120.2190	0.288	9	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){1|Re<6>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.3330	0.027	2	120.2190	0.288	9	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[5a,6](N[5a,6]C[5a]C[6])(C[5a]N[5a]H)(C[6]C[6]H){2|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	120.3460	0.000	1	120.2190	0.288	9	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[5a,6](N[5a,6]S[5a]C[6])(C[5a]N[5a]N)(C[6]C[6]H){1|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	120.8340	0.000	1	120.8340	0.000	1	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6])(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,3|C<3>}	H(C[6]C[5a,6]C[6])	119.5920	0.000	1	119.5920	0.000	1	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]C)(H)	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]N[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[5a,6](N[5a,6]C[5a,6a]C[6])(C[5a]C[5a,6a]H)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	H(C[6]C[5a,6]C[6])	120.5505	0.042	2	120.5505	0.002	2	119.8550	0.760	29	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]2)(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a,6]B[5,6])(N[5a,6]C[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]2)(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a,6]B[5,6])(N[5a,6]C[5a]C[6])(C[6]C[6]H){2|O<2>,3|C<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	116.6660	2.847	2	116.6660	8.104	2	116.6660	8.104	2	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]C)(C[6]C[6]H){1|Pd<4>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]C[6])	121.6960	0.500	3	121.6960	0.250	3	121.0970	0.659	7	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>}	H(C[6]C[5a,6]C[6])	120.9923	0.271	3	120.6478	0.524	4	121.0970	0.659	7	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(N[5a]C[5a]H)(C[6]C[6]H){1|C<3>,1|N<3>,3|H<1>}	H(C[6]C[5a,6]C[6])	119.6140	0.000	1	120.6478	0.524	4	121.0970	0.659	7	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5,5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5,5a]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,2|O<2>,3|C<3>}	H(C[6]C[5a,6]C[6])	121.2145	0.062	2	121.2145	0.004	2	121.3505	0.033	4	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:C[6]-3:H-1:	N[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[5a,6](N[5a,6a]C[5a,6a]C[6a])(N[5a,6]B[5a]C[6])(C[6]C[6]H){1|O<1>,2|F<1>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]C[6])	121.4865	0.144	2	121.4865	0.021	2	121.3505	0.033	4	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	H(C[6]C[5a,6]N[5,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H){1|B<4>,1|C<4>,1|O<2>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]N[5,6])	117.9740	0.170	3	117.9032	0.039	4	117.9032	0.039	4	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[5,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H)	H(C[6]C[5a,6]N[5,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[5,6]N[5,6]B[5])(H){1|B<4>,1|C<4>,1|O<2>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[5,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	H(C[6]C[5a,6]N[5,6])	117.6910	0.000	1	117.9032	0.039	4	117.9032	0.039	4	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|Br<1>,1|B<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H){1|Br<1>,1|B<4>,2|F<1>,2|N<3>}	H(C[6]C[5a,6]N[6,6])	117.2840	0.000	1	117.5045	0.097	2	117.0386	0.097	13	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|Br<1>,1|B<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]Br)(C[6]N[6,6]H){2|Br<1>,1|B<4>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]N[6,6])	117.7250	0.000	1	117.5045	0.097	2	117.0386	0.097	13	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]N[6,6])	116.9480	0.000	1	117.0982	0.011	6	117.0386	0.097	13	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|C<4>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]N[6,6])	117.1265	0.033	2	117.0982	0.011	6	117.0386	0.097	13	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<4>,2|F<1>}	H(C[6]C[5a,6]N[6,6])	117.1355	0.156	2	117.0982	0.011	6	117.0386	0.097	13	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|C<4>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C)(C[6]N[6,6]H){1|Se<2>,1|B<4>,1|C<4>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]N[6,6])	117.1170	0.000	1	117.0982	0.011	6	117.0386	0.097	13	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,2|F<1>}	H(C[6]C[5a,6]N[6,6])	116.8020	0.247	2	116.7808	0.056	5	117.0386	0.097	13	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|F<1>,2|H<1>}	H(C[6]C[5a,6]N[6,6])	117.0360	0.000	1	116.7808	0.056	5	117.0386	0.097	13	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6,6]-3:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H)	H(C[6]C[5a,6]N[6,6])	C[6](C[5a,6]N[5a,6]C[5a])(N[6,6]N[6,6]B[6])(H){1|B<4>,1|H<1>,1|N<3>,5|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]H)(C[6]N[6,6]H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6,6])	116.6320	0.226	2	116.7808	0.056	5	117.0386	0.097	13	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]C)(H)	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6,6a]C)(H){1|N<2>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6]C[6,6a]N[5a])(C[5a]C[6a]N[5a])(C[6]N[6]H){1|C<4>,1|H<1>,4|C<3>}	H(C[6]C[5a,6]N[6])	119.3110	0.000	1	119.3110	0.000	1	119.0470	0.052	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]Ni)(H)	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]Ni)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[5a,6](C[5a,6]O[5a]C[6])(C[5a]C[5a]C)(C[6]N[6]H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	H(C[6]C[5a,6]N[6])	118.9150	0.020	2	118.9150	0.000	2	119.0470	0.052	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H)	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]S)(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6,6a]O)(H){1|S<4>,4|C<3>}	C[5a,6](C[5a,6]C[6,6a]C[5a])(N[5a]C[5a]S)(C[6]N[6]H){1|O<1>,2|C<3>,2|H<1>}	H(C[6]C[5a,6]N[6])	127.5480	0.000	1	127.5480	0.000	1	121.8478	10.581	5	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H)	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6]C[6])(N[5a]C[5a,6]O)(C[6]N[6]H){1|C<3>,2|C<4>,2|H<1>}	H(C[6]C[5a,6]N[6])	121.1160	0.000	1	121.1160	0.000	1	121.8478	10.581	5	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Re)(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]Re)(H){2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]H){1|Re<6>,1|H<1>,3|C<3>}	H(C[6]C[5a,6]N[6])	119.8035	0.405	2	119.8035	0.164	2	121.8478	10.581	5	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6a]C[6])(H){1|C<4>,6|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]C)(C[6]N[6]H){5|C<3>}	H(C[6]C[5a,6]N[6])	120.9680	0.000	1	120.9680	0.000	1	121.8478	10.581	5	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]Co)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]Co)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H){1|Co<4>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]N[6])	119.1140	0.000	1	119.1140	0.000	1	119.4037	0.327	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]Cu)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]Cu)(H){1|H<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	H(C[6]C[5a,6]N[6])	119.0350	0.000	1	119.0350	0.000	1	119.4037	0.327	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]N)(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H)	H(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(N[6]C[6]N)(H){1|C<4>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]N[6]H){1|N<2>,2|H<1>,4|C<3>}	H(C[6]C[5a,6]N[6])	120.0620	0.000	1	120.0620	0.000	1	119.4037	0.327	3	119.6493	2.625	444	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:	3:3:2:	3:	C[5a,6]-3:C[6,6]-4:H-1:	C[5a,6]-3:C[6]-3:O[5a]-2:	C[6]-3:	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H)	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]C[5a])	H(C[6]C[5a,6]C[6,6])	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6]C)(H){2|C<3>,3|C<4>,3|H<1>}	C[5a,6](C[5a,6]C[5a]C[6])(C[6]C[6,6]H)(O[5a]C[5a]){3|H<1>,4|C<4>}	H(C[6]C[5a,6]C[6,6])	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	107.6060	0.000	1	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[5,6]-4:H-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]H)	H(C[6]C[5a,6]C[5,6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[5,6]C[5]2N[6])(H){1|O<1>,2|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[5,6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	H(C[6]C[5a,6]C[5,6])	111.0070	0.000	1	111.0070	0.000	1	111.0070	0.000	1	116.7465	15.761	4	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6,6a]-3:C[5a,5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6a]C[5a,5a])(C[6]C[6]CH)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6,6a]C[5a,5a])(C[6]C[6]CH)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(C[5a,5a]C[5a,5a]N[5a])(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6])	119.5050	0.000	1	119.5050	0.000	1	119.5050	0.000	1	116.7465	15.761	4	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	C[5a,6,6a]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H)	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6,6a]N[5a])(C[6]C[6]CC)(H){5|C<3>}	C[5a,6](C[5a,6,6a]C[5a,6a]C[6,6a])(N[5a]C[5a]C[6a])(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	H(C[6]C[5a,6]C[6])	119.3070	0.000	1	119.3070	0.000	1	119.3070	0.000	1	116.7465	15.761	4	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:H-1:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]C[6]H)(H)	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H)	H(C[6]C[5a,6]C[6])	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[5,6]C[6]H)(H){1|O<1>,2|H<1>,3|C<3>,3|N<3>}	C[5a,6](N[5a,6]C[5a]N[6])(C[5a]N[5a]O)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<4>}	H(C[6]C[5a,6]C[6])	117.1670	0.000	1	117.1670	0.000	1	117.1670	0.000	1	116.7465	15.761	4	119.7057	3.345	498	119.7057	3.345	498
762	727	951	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	H	4:3:1:	3:3:3:	3:	C[5,3x6]-4:C[5a,6]-3:H-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H)	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H)	H(C[6]C[5,3x6]C[5a,6])	C[6](C[5,3x6]C[5,6,6a]2C[5,3x6])(C[5a,6]C[5a,6]N[5a])(H){1|C<4>,1|N<2>,8|C<3>}	C[5a,6](C[5a,6]C[5a,6a]N[6])(N[5a]C[5a,6a]C)(C[6]C[5,3x6]H){1|C<4>,4|C<3>}	H(C[6]C[5,3x6]C[5a,6])	119.7820	0.007	2	119.7820	0.000	2	119.7820	0.000	2	119.7820	0.000	2	119.7057	3.345	498	119.7057	3.345	498
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6,6]N[5a,6]N[6,6])(N[5a]C[5a])(C[6]N[6]N){1|C<4>,1|H<1>,2|C<3>}	N(C[6]C[5a,6]N[6])(H)2	124.2240	0.000	1	124.2240	0.000	1	124.2240	0.000	1	122.9527	1.016	11	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Cd<6>,1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[5a,6]N[6])(H)2	123.5800	0.631	2	123.0848	0.293	9	122.8256	0.932	10	122.9527	1.016	11	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Co<5>,1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[5a,6]N[6])(H)2	123.3180	0.000	1	123.0848	0.293	9	122.8256	0.932	10	122.9527	1.016	11	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pt<4>,1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[5a,6]N[6])(H)2	123.3600	0.000	1	123.0848	0.293	9	122.8256	0.932	10	122.9527	1.016	11	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Rh<6>,1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[5a,6]N[6])(H)2	123.3760	0.000	1	123.0848	0.293	9	122.8256	0.932	10	122.9527	1.016	11	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){2|Co<6>,1|C<3>,1|H<1>}	N(C[6]C[5a,6]N[6])(H)2	123.0030	0.000	1	123.0848	0.293	9	122.8256	0.932	10	122.9527	1.016	11	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,3|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[5a,6]N[6])(H)2	122.5153	0.359	3	123.0848	0.293	9	122.8256	0.932	10	122.9527	1.016	11	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|N<2>,1|O<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N){1|C<3>,1|H<1>}	N(C[6]C[5a,6]N[6])(H)2	120.4930	0.000	1	120.4930	0.000	1	122.8256	0.932	10	122.9527	1.016	11	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:2:3:	3:3:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(NOO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN){1|H<1>,1|N<3>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a])(C[6]N[6]N){1|N<2>,1|N<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(NOO)(H)	123.2000	0.000	1	123.2000	0.000	1	123.2000	0.000	1	123.2000	0.000	1	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:2:3:	3:4:4:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCC)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(CH3)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCC){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|Ru<6>,1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(CH3)2	126.1530	0.000	1	126.1530	0.000	1	126.1530	0.000	1	126.1530	0.000	1	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6])(NHH){1|C<3>,2|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]C[5a]H)(C[6]N[6]N){1|Cu<5>,1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(H)2	123.4040	0.000	1	123.4040	0.000	1	123.4040	0.000	1	124.0551	0.516	8	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(H)2	124.0400	0.000	1	124.0758	0.581	6	124.1481	0.521	7	124.0551	0.516	8	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(H)2	124.0830	0.852	5	124.0758	0.581	6	124.1481	0.521	7	124.0551	0.516	8	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:3:3:	3:1:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Sn)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NHH){1|Sn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]Sn)(C[6]N[6]N){1|C<3>,1|C<4>,1|H<1>}	N(C[6]C[5a,6]N[6])(H)2	124.5820	0.000	1	124.5820	0.000	1	124.1481	0.521	7	124.0551	0.516	8	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(CCHH)(H)	123.9290	0.122	3	123.9290	0.015	3	123.3885	0.348	11	123.3885	0.348	11	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(CC[5]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(CC[5]HH)(H)	122.8330	0.000	1	122.8330	0.000	1	123.3885	0.348	11	123.3885	0.348	11	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(CC[5a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(CC[5a]HH)(H)	123.2060	0.000	1	123.2060	0.000	1	123.3885	0.348	11	123.3885	0.348	11	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:2:3:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6])(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,2|H<1>}	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	123.2413	0.649	6	123.2413	0.421	6	123.3885	0.348	11	123.3885	0.348	11	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO)	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]O[5a])(C[6]C[6]N)	N(C[6]C[5a,6]C[6])(O)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	C[5a,6](C[5a,6]C[6,6]N[5a])(N[5a]O[5a])(C[6]C[6]N){1|H<1>,1|N<3>,2|C<3>}	N(C[6]C[5a,6]C[6])(O)2	122.5110	0.000	1	122.5110	0.000	1	122.2670	0.119	2	125.4483	4.337	53	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N)	N(C[6]C[5a,6]C[6])(O)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]C[6]N){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	N(C[6]C[5a,6]C[6])(O)2	122.0230	0.000	1	122.0230	0.000	1	122.2670	0.119	2	125.4483	4.337	53	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6]-3:C[6]-3:N-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(NHH)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N)	N(C[6]C[5a,6]C[6])(H)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(NHH){1|N<2>,5|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]N[5a])(C[6]C[6]N){1|C<4>,3|C<3>}	N(C[6]C[5a,6]C[6])(H)2	115.6250	0.000	1	115.6250	0.000	1	115.6250	0.000	1	125.4483	4.337	53	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6]-3:C[6]-3:N-3:	N[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:O-1:O-1:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO)	C[5a,6](N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])(C[6]C[6]N)	N(C[6]C[5a,6]C[6])(O)2	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[5a,6]N)(NOO){1|C<3>,1|N<3>,2|N<2>}	C[5a,6](N[5a,6]C[5a,6]N[5a])(N[5a]N[5a])(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	N(C[6]C[5a,6]C[6])(O)2	118.3200	0.000	1	118.3200	0.000	1	118.3200	0.000	1	125.4483	4.337	53	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|H<1>,2|C<4>}	N(C[6]C[5a,6]N[6])(H)2	124.1417	0.072	3	124.1417	0.005	3	125.9241	0.975	49	125.4483	4.337	53	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[5a,6]N[6])(H)2	126.0643	0.860	16	126.0134	0.789	44	125.9241	0.975	49	125.4483	4.337	53	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N(C[6]C[5a,6]N[6])(H)2	126.0057	0.948	26	126.0134	0.789	44	125.9241	0.975	49	125.4483	4.337	53	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N(C[6]C[5a,6]N[6])(H)2	125.7055	0.395	2	126.0134	0.789	44	125.9241	0.975	49	125.4483	4.337	53	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){2|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]N[5a])(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[5a,6]N[6])(H)2	127.6210	0.000	1	127.6210	0.000	1	125.9241	0.975	49	125.4483	4.337	53	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){1|N<3>,1|O<2>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]O[5a])(C[6]N[6]N){1|C<3>,1|O<1>}	N(C[6]C[5a,6]N[6])(H)2	125.6450	0.000	1	125.6450	0.000	1	125.9241	0.975	49	125.4483	4.337	53	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:2:3:	3:4:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,3|H<1>}	N(C[6]C[5a,6]N[6])(CCHH)(H)	124.5155	0.893	2	124.5155	0.798	2	124.5155	0.798	2	124.5155	0.798	2	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:C[5a,6]-3:N-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:O-1:O-1:	C[6](C[5a,6]N[5a,6]C[5a])2(NOO)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	N(C[6]C[5a,6]2)(O)2	C[6](C[5a,6]N[5a,6]C[5a])2(NOO){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	N(C[6]C[5a,6]2)(O)2	118.8375	0.837	2	118.8375	0.700	2	118.8375	0.700	2	124.7851	10.002	17	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH)	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N)	N(C[6]C[5a,6]C[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[5a,6]N)(NHH){1|N<3>,1|O<1>,1|O<2>,2|N<2>}	C[5a,6](C[5a,6]N[5a,6]N[5a])(N[5a]O[5a]O)(C[6]C[6]N){1|C<3>,1|N<2>,1|N<3>}	N(C[6]C[5a,6]C[6])(H)2	117.9260	0.000	1	117.9260	0.000	1	117.9260	0.000	1	124.7851	10.002	17	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	N(C[6]C[5a,6]N[6])(H)2	125.2140	0.533	2	126.0460	1.274	13	126.1246	1.262	14	124.7851	10.002	17	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	N(C[6]C[5a,6]N[6])(H)2	126.1973	1.156	11	126.0460	1.274	13	126.1246	1.262	14	124.7851	10.002	17	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:1:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,1|H<1>,1|O<2>}	N(C[6]C[5a,6]N[6])(H)2	127.1470	0.000	1	127.1470	0.000	1	126.1246	1.262	14	124.7851	10.002	17	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:N-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6a]-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NC[6a]H){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	N(C[6]C[5a,6]2)(C[6a]C[6a]2)(H)	119.9927	2.672	20	119.9927	7.139	20	119.9927	7.139	20	119.9877	7.903	22	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[5a,6]-3:N-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:N-3:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(NHN)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	N(C[6]C[5a,6]2)(NHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NHN){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	N(C[6]C[5a,6]2)(NHH)(H)	119.9380	5.506	2	119.9380	30.311	2	119.9380	30.311	2	119.9877	7.903	22	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a,6]-3:N-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(NCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	N(C[6]C[5a,6]2)(CCHH)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NCH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	N(C[6]C[5a,6]2)(CCHH)(H)	120.3053	3.753	4	120.3053	14.084	4	120.2690	13.208	6	121.5287	13.633	9	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:C[5a,6]-3:N-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-4:H-1:	C[6](C[5a,6]N[5a,6]C[5a])2(NCH)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	N(C[6]C[5a,6]2)(CC[6a]HH)(H)	C[6](C[5a,6]N[5a,6]C[5a])2(NCH){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	N(C[6]C[5a,6]2)(CC[6a]HH)(H)	120.1965	4.876	2	120.1965	23.771	2	120.2690	13.208	6	121.5287	13.633	9	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(CC3)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<4>,2|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a,6a]C[6])(N[5a]C[5a,6a]H)(C[6]N[6]N){1|C<4>,2|C<3>,3|H<1>}	N(C[6]C[5a,6]N[6])(CC3)(H)	121.1040	0.000	1	121.1040	0.000	1	124.0480	7.231	3	121.5287	13.633	9	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(CCHH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,3|H<1>}	N(C[6]C[5a,6]N[6])(CCHH)(H)	126.3750	0.000	1	126.3750	0.000	1	124.0480	7.231	3	121.5287	13.633	9	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:4:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C-4:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[5a,6]N[6])(CC[6a]HH)(H)	124.6650	0.000	1	124.6650	0.000	1	124.0480	7.231	3	121.5287	13.633	9	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:4:4:	C[5a,6]-3:C[5a,6]-3:N-3:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-4:C-4:	C[6](C[5a,6]N[5a,6]C[5a])2(NCC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H)	N(C[6]C[5a,6]2)(CCHH)2	C[6](C[5a,6]N[5a,6]C[5a])2(NCC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]N)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	N(C[6]C[5a,6]2)(CCHH)2	121.1410	2.004	2	121.1410	4.016	2	121.1410	4.016	2	120.7007	2.590	3	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP2	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:4:4:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,1|S<4>,2|H<1>}	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	119.8200	0.000	1	119.8200	0.000	1	119.8200	0.000	1	120.7007	2.590	3	123.6687	9.154	138	123.6687	9.154	138
762	727	956	0:SP2_SP2_SP3	C[6]	C[5a,6]	N	3:2:3:	3:3:3:	3:3:1:	C[5a,6]-3:N[6]-2:N-3:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:N-3:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN)	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(NOO)(H)	C[6](C[5a,6]C[5a,6]N[5a])(N[6]N[6])(NHN){1|N<2>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(N[5a]C[5a]H)(C[6]N[6]N){1|H<1>,1|N<2>,1|N<3>}	N(C[6]C[5a,6]N[6])(NOO)(H)	123.7520	0.000	1	123.7520	0.000	1	123.7520	0.000	1	123.7520	0.000	1	123.3177	12.458	3	123.3177	12.458	3
762	727	956	0:SP2_SP2_SP3	C[6]	C[5a,6]	N	3:3:3:	3:2:3:	3:1:1:	C[5a,6]-3:N[6]-3:N-3:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:H-1:H-1:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N)	N(C[6]C[5a,6]N[6])(H)2	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]N){1|C<3>,1|C<4>,2|H<1>}	N(C[6]C[5a,6]N[6])(H)2	126.6100	0.000	1	126.6100	0.000	1	126.6100	0.000	1	126.6100	0.000	1	123.3177	12.458	3	123.3177	12.458	3
762	727	956	0:SP2_SP2_SP3	C[6]	C[5a,6]	N	3:3:3:	3:3:3:	3:4:4:	C[5a,6]-3:C[6]-3:N-3:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C-4:C-4:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N)	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]C)(C[6]C[6]N){1|C<3>,1|O<1>,3|H<1>}	N(C[6]C[5a,6]C[6])(CC[6a]HH)(CH3)	119.5910	0.000	1	119.5910	0.000	1	119.5910	0.000	1	119.5910	0.000	1	123.3177	12.458	3	123.3177	12.458	3
762	727	977	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	S	3:2:1:	3:3:3:	3:	C[5a,6]-3:S[6]-2:S-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(S)	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S)	S(C[6]C[5a,6]S[6])	C[6](C[5a,6]C[5a,6]N[5a])(S[6]C[6])(S){1|C<4>,1|O<2>,1|S<2>,3|C<3>}	C[5a,6](C[5a,6]C[5a,5a]S[6])(N[5a]C[5a,5a]C)(C[6]S[6]S){1|C<3>,1|C<4>,1|S<2>}	S(C[6]C[5a,6]S[6])	127.0765	0.183	2	127.0765	0.034	2	127.0765	0.034	2	127.0765	0.034	2	125.3460	4.754	14	125.3460	4.754	14
762	727	977	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	S	3:3:1:	3:2:3:	3:	C[5a,6]-3:C[6,6a]-3:S-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(S)	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6,6a]S)	S(C[6]C[5a,6]C[6,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(S){1|H<1>,1|O<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6a]O[6])(S[5a]C[5a,6a])(C[6]C[6,6a]S){4|C<3>}	S(C[6]C[5a,6]C[6,6a])	122.2010	0.000	1	122.2010	0.000	1	122.2010	0.000	1	123.8518	5.303	6	125.3460	4.754	14	125.3460	4.754	14
762	727	977	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	S	3:3:1:	3:2:3:	3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:N[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]S)	S(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a])(C[6]N[6]S){1|C<3>,3|H<1>}	S(C[6]C[5a,6]N[6])	126.7880	0.190	2	126.7880	0.036	2	126.7880	0.036	2	123.8518	5.303	6	125.3460	4.754	14	125.3460	4.754	14
762	727	977	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	S	3:3:1:	3:2:3:	3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	S(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	S(C[6]C[5a,6]N[6])	122.5240	0.000	1	122.4447	0.286	3	122.4447	0.286	3	123.8518	5.303	6	125.3460	4.754	14	125.3460	4.754	14
762	727	977	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	S	3:3:1:	3:2:3:	3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	S(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|C<3>,1|C<4>,1|I<1>,2|H<1>}	S(C[6]C[5a,6]N[6])	121.8750	0.000	1	122.4447	0.286	3	122.4447	0.286	3	123.8518	5.303	6	125.3460	4.754	14	125.3460	4.754	14
762	727	977	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	S	3:3:1:	3:2:3:	3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:S[5a]-2:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S)	S(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]S[5a])(N[6]C[6]C)(S){1|H<1>,3|C<3>}	C[5a,6](C[5a,6]C[5a]C[6])(S[5a]C[5a])(C[6]N[6]S){1|C<3>,1|C<4>,3|H<1>}	S(C[6]C[5a,6]N[6])	122.9350	0.000	1	122.4447	0.286	3	122.4447	0.286	3	123.8518	5.303	6	125.3460	4.754	14	125.3460	4.754	14
762	727	977	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	S	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(S)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S)	S(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]C)(S){1|N<3>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S){1|C<3>,2|C<4>}	S(C[6]C[5a,6]N[6])	125.3530	0.000	1	125.3530	0.000	1	126.0670	1.020	2	126.7456	0.960	5	125.3460	4.754	14	125.3460	4.754	14
762	727	977	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	S	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S)	S(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]C[5a])(N[6]C[6]H)(S){1|N<3>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(C[5a]N[5a]H)(C[6]N[6]S){1|C<3>,1|C<4>,1|H<1>}	S(C[6]C[5a,6]N[6])	126.7810	0.000	1	126.7810	0.000	1	126.0670	1.020	2	126.7456	0.960	5	125.3460	4.754	14	125.3460	4.754	14
762	727	977	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	S	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S)	S(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S){1|C<3>,3|H<1>}	S(C[6]C[5a,6]N[6])	127.2390	0.000	1	127.1980	0.642	3	127.1980	0.642	3	126.7456	0.960	5	125.3460	4.754	14	125.3460	4.754	14
762	727	977	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	S	3:3:1:	3:3:3:	3:	C[5a,6]-3:N[6]-3:S-1:	C[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S)	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S)	S(C[6]C[5a,6]N[6])	C[6](C[5a,6]C[5a,6]N[5a])(N[6]C[6]H)(S){1|C<3>,2|H<1>,2|N<2>}	C[5a,6](C[5a,6]N[5a]N[6])(N[5a]C[5a]H)(C[6]N[6]S){1|C<3>,2|H<1>}	S(C[6]C[5a,6]N[6])	127.1775	1.132	2	127.1980	0.642	3	127.1980	0.642	3	126.7456	0.960	5	125.3460	4.754	14	125.3460	4.754	14
762	727	977	0:SP2_SP-NON_SP2	C[6]	C[5a,6]	S	3:4:1:	3:3:3:	3:	C[5a,6]-3:C[6]-4:S-1:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(S)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]S)	S(C[6]C[5a,6]C[6])	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]HH)(S){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]N[5a]C[6])(C[6]C[6]S){1|C<4>,2|C<3>,6|H<1>}	S(C[6]C[5a,6]C[6])	123.8520	0.000	1	123.8520	0.000	1	123.8520	0.000	1	123.8520	0.000	1	125.3460	4.754	14	125.3460	4.754	14
762	727	983	0:SP2_SP1_SP2	C[6]	C[5a,6]	C	3:3:2:	3:2:3:	3:1:	C[5a,6]-3:C[6]-3:C-2:	N[5a,6]-3:O[5a]-2:C[6]-3:	C[6]-3:N-1:	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN)	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(N)	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN){1|H<1>,3|C<3>}	C[5a,6](N[5a,6]C[5a]C[6])(O[5a]C[5a])(C[6]C[6]C){1|H<1>,2|C<3>,2|C<4>}	C(C[6]C[5a,6]C[6])(N)	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	119.6981	1.198	44	119.6981	1.198	44
762	727	983	0:SP2_SP1_SP2	C[6]	C[5a,6]	C	3:3:2:	3:3:2:	3:2:	C[5a,6]-3:C[6,6a]-3:C-2:	C[5a,6]-3:C[6]-3:S[5a]-2:	C[6]-3:C-2:	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(CC)	C[5a,6](C[5a,6]C[5a,6]S[6])(C[6]C[6,6a]C)(S[5a]C[5a,6])	C(C[6]C[5a,6]C[6,6a])(CSi)	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6a]C[6,6a]C[6a])(CC){1|H<1>,1|S<2>,4|C<3>}	C[5a,6](C[5a,6]C[5a,6]S[6])(C[6]C[6,6a]C)(S[5a]C[5a,6]){1|S<2>,3|C<3>}	C(C[6]C[5a,6]C[6,6a])(CSi)	119.4950	0.048	2	119.4950	0.002	2	119.4950	0.002	2	119.4950	0.002	2	119.6981	1.198	44	119.6981	1.198	44
762	727	983	0:SP2_SP1_SP2	C[6]	C[5a,6]	C	3:3:2:	3:3:3:	3:1:	C[5a,6]-3:C[5,6]-3:C-2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(CN)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C)	C(C[6]C[5a,6]C[5,6])(N)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[5,6]N[5,6]S[5])(CN){1|B<4>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[5,6]C){1|H<1>,1|N<3>,1|S<2>,2|F<1>,3|C<3>}	C(C[6]C[5a,6]C[5,6])(N)	121.2700	0.000	1	121.2700	0.000	1	121.2700	0.000	1	119.7916	1.193	5	119.6981	1.198	44	119.6981	1.198	44
762	727	983	0:SP2_SP1_SP2	C[6]	C[5a,6]	C	3:3:2:	3:3:3:	3:1:	C[5a,6]-3:C[5a,6]-3:C-2:	N[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5a,6]N[5a,6]C[5a])2(CN)	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C)	C(C[6]C[5a,6]2)(N)	C[6](C[5a,6]N[5a,6]C[5a])2(CN){1|B<4>,6|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[5a]C[5a]C[6a])(C[6]C[5a,6]C){1|N<3>,2|F<1>,5|C<3>}	C(C[6]C[5a,6]2)(N)	118.8980	0.953	2	118.8980	0.909	2	118.8980	0.909	2	119.7916	1.193	5	119.6981	1.198	44	119.6981	1.198	44
762	727	983	0:SP2_SP1_SP2	C[6]	C[5a,6]	C	3:3:2:	3:3:3:	3:1:	C[5a,6]-3:C[6,6]-3:C-2:	C[5a,6a]-3:N[5a,6]-3:C[6]-3:	C[6]-3:N-1:	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN)	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C)	C(C[6]C[5a,6]C[6,6])(N)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	C[5a,6](C[5a,6a]C[5a,6a,6a]C[6a])(N[5a,6]C[5a,6a]B[6])(C[6]C[6,6]C){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C(C[6]C[5a,6]C[6,6])(N)	119.9460	0.177	2	119.9460	0.031	2	119.9460	0.031	2	119.7916	1.193	5	119.6981	1.198	44	119.6981	1.198	44
762	727	983	0:SP2_SP1_SP2	C[6]	C[5a,6]	C	3:3:2:	3:3:3:	3:2:	C[5a,6]-3:C[5a,6]-3:C-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-2:	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C(C[6]C[5a,6]2)(CSi)	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|C<2>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[6]C[5a,6]2)(CSi)	119.1500	0.530	3	119.2637	0.296	6	119.5656	0.890	34	119.5783	0.870	35	119.6981	1.198	44	119.6981	1.198	44
762	727	983	0:SP2_SP1_SP2	C[6]	C[5a,6]	C	3:3:2:	3:3:3:	3:2:	C[5a,6]-3:C[5a,6]-3:C-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-2:	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C)	C(C[6]C[5a,6]2)(CSi)	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|C<4>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]C){1|Cl<1>,1|C<3>,1|C<4>,1|N<3>,2|F<1>}	C(C[6]C[5a,6]2)(CSi)	119.3773	0.649	3	119.2637	0.296	6	119.5656	0.890	34	119.5783	0.870	35	119.6981	1.198	44	119.6981	1.198	44
762	727	983	0:SP2_SP1_SP2	C[6]	C[5a,6]	C	3:3:2:	3:3:3:	3:2:	C[5a,6]-3:C[5a,6]-3:C-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-2:	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C(C[6]C[5a,6]2)(CC[5])	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C(C[6]C[5a,6]2)(CC[5])	119.4445	0.196	2	119.4445	0.038	2	119.5656	0.890	34	119.5783	0.870	35	119.6981	1.198	44	119.6981	1.198	44
762	727	983	0:SP2_SP1_SP2	C[6]	C[5a,6]	C	3:3:2:	3:3:3:	3:2:	C[5a,6]-3:C[5a,6]-3:C-2:	N[5a,6]-3:C[6]-3:C[5a]-3:	C[6]-3:C-2:	C[6](C[5a,6]N[5a,6]C[5a])2(CC)	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H)	C(C[6]C[5a,6]2)(CC[6a])	C[6](C[5a,6]N[5a,6]C[5a])2(CC){1|B<4>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6]C[5a]B[6])(C[6]C[5a,6]C)(C[5a]C[5a]H){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C(C[6]C[5a,6]2)(CC[6a])	119.6446	1.041	26	119.6446	1.085	26	119.5656	0.890	34	119.5783	0.870	35	119.6981	1.198	44	119.6981	1.198	44
762	727	983	0:SP2_SP1_SP2	C[6]	C[5a,6]	C	3:3:2:	3:3:3:	3:2:	C[5a,6]-3:C[6]-3:C-2:	N[5a,6]-3:N[5a]-3:C[6]-3:	C[6]-3:C-2:	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(CC)	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C)(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(CC[6a])	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6a]C[6a])(CC){1|C<4>,6|C<3>}	C[5a,6](N[5a,6]C[6,6a]C[5a])(N[5a]C[5a]C)(C[6]C[6]C){2|H<1>,3|C<3>}	C(C[6]C[5a,6]C[6])(CC[6a])	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	119.5783	0.870	35	119.6981	1.198	44	119.6981	1.198	44
762	727	983	0:SP2_SP1_SP2	C[6]	C[5a,6]	C	3:4:2:	3:3:3:	3:3:	C[5a,6]-3:C[6]-4:C-2:	C[5a,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C-3:	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CC)	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C)	C(C[6]C[5a,6]C[6])(CHH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]HO)(CC){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[5a,6](C[5a,6]N[5a]C[6])(C[5a]C[5a]H)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C(C[6]C[5a,6]C[6])(CHH)	123.7630	0.000	1	123.7630	0.000	1	123.7630	0.000	1	123.7630	0.000	1	119.6981	1.198	44	119.6981	1.198	44
762	727	992	0:SP2_SP2_SP3	C[6]	C[5a,6]	P	3:3:4:	3:3:3:	3:2:2:1:	C[5a,6]-3:C[5a,6]-3:P-4:	N[5a,6,6]-3:C[6]-3:C[5a]-3:	C[6]-3:O-2:O-2:O-1:	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3)	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H)	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	C[6](C[5a,6]N[5a,6,6]C[5a])2(PO3){1|Ga<5>,2|H<1>,4|C<3>}	C[5a,6](N[5a,6,6]C[5a,6]Ga[4x6])(C[6]C[5a,6]P)(C[5a]C[5a]H){1|H<1>,1|O<2>,2|C<3>,3|N<3>}	P(C[6]C[5a,6]2)(OGa[4x6])(OC)(O)	118.0040	3.530	2	118.0040	12.460	2	118.0040	12.460	2	118.5703	7.192	3	118.5703	7.192	3	118.5703	7.192	3
762	727	992	0:SP2_SP2_SP3	C[6]	C[5a,6]	P	3:3:4:	3:3:3:	3:2:2:1:	C[5a,6]-3:C[6]-3:P-4:	C[5a,6a]-3:C[5a,6]-3:C[6]-3:	C[6]-3:O-2:O-2:O-1:	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3)	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]P)	P(C[6]C[5a,6]C[6])(OC)2(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]N[6]C)(PO3){1|O<1>,1|O<2>,3|C<3>}	C[5a,6](C[5a,6a]C[5a,6a]C[6a])(C[5a,6]O[5a]C[6])(C[6]C[6]P){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	P(C[6]C[5a,6]C[6])(OC)2(O)	119.7030	0.000	1	119.7030	0.000	1	119.7030	0.000	1	118.5703	7.192	3	118.5703	7.192	3	118.5703	7.192	3
762	730	762	0:SP2_SP2_SP2	C[6]	As	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:As-3:C[6]-2:	C[6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6])	As(C[6a]C[6a]2)(C[6]C[6]2)(OAs)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6]){1|C<3>,1|H<1>}	As(C[6a]C[6a]2)(C[6]C[6]2)(OAs)	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	122.8110	0.000	1	123.1325	0.207	2	123.1325	0.207	2	123.1325	0.207	2	118.3187	17.695	8	118.3187	17.695	8
762	730	762	0:SP2_SP2_SP2	C[6]	As	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:As-3:C[6]-2:	C[6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6])	As(C[6a]C[6a]2)(C[6]C[6]2)(OAs)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6]){1|C<3>,2|H<1>}	As(C[6a]C[6a]2)(C[6]C[6]2)(OAs)	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	123.4540	0.000	1	123.1325	0.207	2	123.1325	0.207	2	123.1325	0.207	2	118.3187	17.695	8	118.3187	17.695	8
762	730	762	0:SP2_SP2_SP2	C[6]	As	C[6]	3:3:3:	3:1:1:	3:3:1:	C[6]-3:C[6]-3:As-3:	C[6]-3:Cl-1:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(AsCl2)	As(C[6]C[6]2)(Cl)2	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(AsCl2){1|C<3>,2|H<1>}	As(C[6]C[6]2)(Cl)2	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	121.2180	0.518	2	118.3187	17.695	8	118.3187	17.695	8
762	730	762	0:SP2_SP2_SP2	C[6]	As	C[6]	3:3:3:	3:1:1:	3:3:1:	C[6]-3:C[6]-3:As-3:	C[6]-3:Cl-1:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(AsCl2)	As(C[6]C[6]2)(Cl)2	C[6](C[6]C[6]As)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(AsCl2){1|C<3>,2|H<1>}	As(C[6]C[6]2)(Cl)2	C[6](C[6]C[6]As)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	120.7090	0.000	1	120.7090	0.000	1	120.7090	0.000	1	121.2180	0.518	2	118.3187	17.695	8	118.3187	17.695	8
762	730	762	0:SP2_SP2_SP2	C[6]	As	C[6]	3:3:3:	3:3:3:	3:3:1:	As-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](AsC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H)	As(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6](C[6]N[6]As)(C[6]C[6]H)(H)	C[6](AsC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6](C[6]N[6]As)(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	114.4240	0.091	2	114.4240	0.008	2	114.4622	0.166	4	114.4622	0.166	4	118.3187	17.695	8	118.3187	17.695	8
762	730	762	0:SP2_SP2_SP2	C[6]	As	C[6]	3:3:3:	3:3:3:	3:3:1:	As-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](AsC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H)	As(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6](C[6]N[6]As)(C[6]C[6]H)(H)	C[6](AsC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	As(C[6a]C[6a]N[6a])(C[6]C[6]N[6])2	C[6](C[6]N[6]As)(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	114.5005	0.695	2	114.5005	0.483	2	114.4622	0.166	4	114.4622	0.166	4	118.3187	17.695	8	118.3187	17.695	8
762	742	762	6:SP2_SP2_SP3	C[6]	B[4,6]	C[6]	4:3:3:	3:4:3:3:	3:3:4:	B[4,6]-4:C[6]-3:C[6a]-3:	C[4,6]-3:P[4]-4:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:Si-4:	C[6](B[4,6]C[4,6]C[6a]P[4])(C[6]C[6,6a]Si)(C[6a]C[6a]2)	B[4,6](C[4,6]C[6,6a]C[4])(P[4]C[6a]2C[4])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[4,6]C[6a])(SiC3)	C[6](B[4,6]C[4,6]C[6a]P[4])(C[6]C[6,6a]Si)(C[6a]C[6a]2){2|F<1>,9|C<3>}	B[4,6](C[4,6]C[6,6a]C[4])(P[4]C[6a]2C[4])(C[6]C[6a]C[6])(C[6a]C[6a]2){11|C<3>,1|Si<4>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]B[4,6]C[6a])(SiC3){1|H<1>,1|P<4>,6|C<3>}	118.1330	0.000	1	118.1330	0.000	1	118.1330	0.000	1	118.1330	0.000	1	118.1330	0.000	1	118.1330	0.000	1
762	762	762	0:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6]	4:3:3:	3:4:1:	3:2:1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-3:O[6]-2:O-1:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]O[6]O)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	C[6](C[3x6]C[5,4x6]C[6,6])(O[6]C[6])(O)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]O[6]O){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[3x6]C[5,4x6]C[6,6])(O[6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	123.1220	0.000	1	123.1220	0.000	1	123.1220	0.000	1	123.1220	0.000	1	123.4724	0.794	8	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-3:C[6,6a]-3:O-1:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O){1|O<2>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	122.5210	0.000	1	122.5210	0.000	1	122.5470	0.001	2	122.5470	0.001	2	123.4724	0.794	8	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-3:C[6,6a]-3:O-1:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2O)(H)	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6,6a]O){1|H<1>,2|O<2>,3|C<3>,3|C<4>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2O)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[3x6]C[5,4x6]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	122.5730	0.000	1	122.5730	0.000	1	122.5470	0.001	2	122.5470	0.001	2	123.4724	0.794	8	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6]	4:3:3:	3:4:1:	3:4:1:	C[5,4x6]-4:C[6,6]-3:C[6]-3:	C[3x6]-3:C[3x6]-4:H-1:	C[3x6]-3:C[6]-4:O-1:	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6]O)	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H)	C[6](C[3x6]C[5,4x6]C[6,6])(C[6]C[6]HH)(O)	C[3x6](C[5,4x6]C[5,6,6]2O[6])(C[6,6]C[3x6]H)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[5,4x6]C[6])(C[3x6]C[6,6]2H)(H){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[3x6]C[5,4x6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	123.1770	0.000	1	123.1770	0.000	1	123.1770	0.000	1	123.1770	0.000	1	123.4724	0.794	8	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6]	4:3:3:	4:3:1:	3:2:1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[5,3x6]-4:C[3x6]-3:H-1:	C[3x6]-3:O[6]-2:O-1:	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[5,3x6]H)(C[6]O[6]O)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H)	C[6](C[3x6]C[4x6]C[6,6])(O[6]C[6])(O)	C[3x6](C[4x6]C[6,6]2O[6])(C[6,6]C[5,3x6]H)(C[6]O[6]O){1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>,3|O<2>}	C[6](C[3x6]C[4x6]C[6,6])(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	124.3850	0.000	1	124.3850	0.000	1	124.3850	0.000	1	124.3850	0.000	1	123.4724	0.794	8	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6]	4:3:3:	4:3:1:	3:3:1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[5,3x6]-4:C[3x6]-3:H-1:	C[6,6a]-3:C[3x6]-3:O-1:	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[5,3x6]H)(C[6]C[6,6a]O)	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[4x6]C[6,6])(O)	C[3x6](C[4x6]C[6,6]O[6,6]C[6])(C[6,6]C[5,3x6]H)(C[6]C[6,6a]O){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6](C[5,3x6]C[5,6,6]2H)(C[3x6]C[4x6]C[6])(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[4x6]C[6,6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	123.4470	0.361	2	123.4470	0.130	2	123.4470	0.130	2	123.4470	0.130	2	123.4724	0.794	8	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6]	4:3:3:	4:3:1:	3:3:2:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:H-1:	C[3x6]-3:N[6]-3:N-2:	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N)	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(H)	C[6](C[3x6]C[4x6]C[6,6])(N[6]Si[4,6]C)(NC)	C[3x6](C[4x6]Si[4,3x6]C[6,6]H)(C[6,6]C[3x6]H)(C[6]N[6]N){1|Si<5>,2|Si<4>,1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[3x6]Si[4,6,6]C[6,6]H)(C[3x6]C[4x6]C[6])(H){1|Si<5>,2|Si<4>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[3x6]C[4x6]C[6,6])(N[6]Si[4,6]C)(NC){1|Si<4>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	125.1070	0.000	1	125.1070	0.000	1	125.1070	0.000	1	125.1070	0.000	1	123.4724	0.794	8	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:4:3:	3:4:3:	3:4:1:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-4:I-1:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(I)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I){1|I<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]I){1|I<1>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(I){1|C<3>,3|C<4>,5|H<1>}	128.5845	0.224	2	128.5845	0.050	2	128.5845	0.050	2	128.5845	0.050	2	127.8124	1.136	8	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:4:3:	3:4:3:	3:4:2:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-4:O-2:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(OH)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(C[6,6]C[3x6]O){1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6]2H)(OH){1|C<3>,3|C<4>,5|H<1>}	126.3750	0.274	2	126.3750	0.075	2	126.3750	0.075	2	126.3750	0.075	2	127.8124	1.136	8	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:4:3:	3:4:3:	3:4:4:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-4:P-4:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pd)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pd){1|C<4>,1|H<1>,5|C<3>}	128.2800	1.195	2	128.2800	1.428	2	128.1450	0.687	4	128.1450	0.687	4	127.8124	1.136	8	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:4:3:	3:4:3:	3:4:4:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-4:C[6,6]-3:	C[6,6]-3:C[3x6]-4:P-4:	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pt)	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(C[6,6]C[3x6]P){1|C<4>,1|P<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]C[3x6]C[6,6])(C[3x6]C[6,6,6a]2H)(PC[6a]2Pt){1|C<4>,1|H<1>,5|C<3>}	128.0100	0.748	2	128.0100	0.560	2	128.1450	0.687	4	128.1450	0.687	4	127.8124	1.136	8	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<2>,2|O<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<3>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	124.4950	0.000	1	126.9925	12.475	2	126.9925	12.475	2	122.5625	2.210	30	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<3>,2|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<2>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<2>,5|C<3>}	129.4900	0.000	1	126.9925	12.475	2	126.9925	12.475	2	122.5625	2.210	30	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6,6]N[6,6]C[6])(C[6]C[6,6a]O){1|B<4>,1|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	122.0825	0.036	2	122.0825	0.001	2	122.0825	0.001	2	122.5625	2.210	30	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.5510	0.000	1	122.4055	1.460	2	122.3388	0.324	24	122.5625	2.210	30	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.2600	0.000	1	122.4055	1.460	2	122.3388	0.324	24	122.5625	2.210	30	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.3187	0.552	20	122.3328	0.285	22	122.3388	0.324	24	122.5625	2.210	30	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>}	122.4730	0.392	2	122.3328	0.285	22	122.3388	0.324	24	122.5625	2.210	30	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|F<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6,6]N[6,6]C[6])(C[6]C[6,6a]O){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6,6a]H)(H){1|B<4>,4|C<3>}	121.2960	0.175	2	121.2960	0.031	2	121.2960	0.031	2	122.5625	2.210	30	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:N[6]-3:	N[6,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O){2|C<4>,2|S<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	119.2610	0.000	1	119.2610	0.000	1	119.2610	0.000	1	119.2610	0.000	1	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:1:	3:3:3:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[4,5,4x6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6](N[6,6]C[4,5,6,6]Pt)(C[6,6]C[4,5,4x6]H)(C[6]C[6]N[6])	C[6,6](C[4,5,4x6]C[4,5,5,6,6]2C[5,6,6])(C[6,6]N[6,6]C[6])(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6,6a]H)(N[6]C[6]Pt)	C[6,6](N[6,6]C[4,5,6,6]Pt)(C[6,6]C[4,5,4x6]H)(C[6]C[6]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[4,5,4x6]C[4,5,5,6,6]2C[5,6,6])(C[6,6]N[6,6]C[6])(H){1|Pt<4>,1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6,6a]H)(N[6]C[6]Pt){2|C<3>,2|C<4>,2|H<1>}	123.0550	0.000	1	123.0550	0.000	1	123.0550	0.000	1	123.0550	0.000	1	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	122.0320	0.943	2	122.0320	0.890	2	122.0320	0.890	2	122.0320	0.890	2	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:4:	3:3:1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<4>}	122.0075	0.774	2	122.0075	0.600	2	122.0075	0.600	2	122.0075	0.600	2	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:	3:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CC)(O){2|C<3>,2|H<1>,3|C<4>}	123.0120	0.000	1	123.0120	0.000	1	123.0120	0.000	1	123.0120	0.000	1	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:	3:4:4:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C){6|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]CH)(CH3){2|C<3>,2|H<1>,3|C<4>}	123.3330	0.885	2	123.3330	0.784	2	123.3330	0.784	2	123.3330	0.784	2	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|H<1>,2|C<3>,4|C<4>}	123.2450	0.000	1	123.2450	0.000	1	122.5650	0.925	2	122.5650	0.925	2	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	121.8850	0.000	1	121.8850	0.000	1	122.5650	0.925	2	122.5650	0.925	2	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]O){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(O){1|C<3>,5|C<4>}	120.0230	0.000	1	120.0230	0.000	1	120.0230	0.000	1	120.0230	0.000	1	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]C){6|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	120.1205	0.179	2	120.1205	0.032	2	120.1205	0.032	2	120.1205	0.032	2	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H){1|H<1>,6|C<4>}	122.9845	0.145	2	122.9845	0.021	2	122.9845	0.021	2	122.9845	0.021	2	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]CH){2|O<1>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HO)(O){1|H<1>,6|C<4>}	121.3160	0.000	1	121.3160	0.000	1	121.3160	0.000	1	121.3160	0.000	1	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:	4:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:C[6]-4:	C[5,6,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH)	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6,6]O){1|C<3>,1|O<2>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)(C[6]C[6]HH){1|C<3>,1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6]O)(C[6,6]C[6,6]2)(O){2|H<1>,2|O<2>,6|C<4>}	119.5080	0.262	2	119.5080	0.068	2	119.5080	0.068	2	119.5080	0.068	2	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){2|C<3>,2|H<1>,3|C<4>}	125.3180	0.095	2	125.3180	0.009	2	125.3180	0.009	2	125.3180	0.009	2	122.3388	2.654	51	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[3x6]-3:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[3x6]C[3x6]C[6,6])(C[6]O[6]H)(C[6]O[6]O)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O)	C[6,6](C[3x6]C[3x6]C[6,6])(C[6]O[6]H)(C[6]O[6]O){5|C<4>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	118.5140	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:H-1:	C[6,6]-3:C[6]-2:I-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(IC[6a])	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H){1|C<3>,1|H<1>,1|I<2>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(IC[6a]){1|C<3>,2|C<2>,2|H<1>}	124.8780	0.000	1	124.8780	0.000	1	124.8780	0.000	1	124.8780	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:2:2:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:O-2:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OCo)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OCo)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(C[6]O[6]O){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OCo){1|C<2>,1|C<3>,1|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OCo){1|C<2>,1|C<4>,3|O<2>}	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:2:3:	3:2:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-2:N-3:	C[6,6]-3:N[6]-2:O-1:	C[6,6](C[6,6]N[6]2)(C[6]N[6]N)(C[6]N[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(NHH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(O)	C[6,6](C[6,6]N[6]2)(C[6]N[6]N)(C[6]N[6]O){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(NHH){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(O){1|O<1>,2|N<2>,2|N<3>}	122.8240	0.000	1	122.8240	0.000	1	122.8240	0.000	1	122.8240	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-2:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2{1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])(H){1|H<1>,1|N<3>,3|C<3>}	122.6040	0.000	1	123.7160	0.973	3	123.7160	0.973	3	122.5735	2.581	10	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-2:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2{1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])(H){1|H<1>,1|N<3>,3|C<3>}	124.2720	0.303	2	123.7160	0.973	3	123.7160	0.973	3	122.5735	2.581	10	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6])(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	123.0480	0.065	2	123.0825	0.027	4	122.0839	2.615	7	122.5735	2.581	10	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6])(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6])(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	123.1170	0.269	2	123.0825	0.027	4	122.0839	2.615	7	122.5735	2.581	10	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:H-1:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]H){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(H){1|B<4>,1|H<1>,3|C<3>}	119.7275	0.036	2	119.7275	0.001	2	122.0839	2.615	7	122.5735	2.581	10	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:H-1:	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(H){1|H<1>,4|C<3>}	122.8020	0.000	1	122.8020	0.000	1	122.0839	2.615	7	122.5735	2.581	10	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:C-2:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CN){1|B<4>,1|H<1>,3|C<3>}	123.5260	0.064	2	123.5260	0.004	2	122.4723	3.333	3	122.4723	3.333	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:C-2:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CN)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H){1|B<4>,1|C<2>,1|N<2>,2|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CN){1|B<4>,1|H<1>,3|C<3>}	120.3650	0.000	1	120.3650	0.000	1	122.4723	3.333	3	122.4723	3.333	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:C-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CCO)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CCO){1|B<4>,1|H<1>,3|C<3>}	124.5670	0.000	1	124.5670	0.000	1	124.9950	0.366	2	124.9950	0.366	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:C-3:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(COO)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(COO){1|B<4>,1|H<1>,3|C<3>}	125.4230	0.000	1	125.4230	0.000	1	124.9950	0.366	2	124.9950	0.366	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:C-4:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CH3)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6,6]N[6,6]C[6])(N[6]N[6])(CH3){1|B<4>,1|H<1>,3|C<3>}	123.0380	0.000	1	123.0380	0.000	1	121.3717	2.110	3	121.3717	2.110	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:C-4:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(CH3)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|C<4>,1|N<2>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6,6a])(CH3){1|B<4>,1|H<1>,3|C<3>}	120.5385	0.234	2	120.5385	0.055	2	121.3717	2.110	3	121.3717	2.110	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6,6a]C[6])(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6,6a]C[6])(C[6]N[6]H)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6,6a]C[6])(C[6]N[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6,6a]C[6])(C[6]N[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	127.7740	0.000	1	127.7740	0.000	1	127.7740	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	123.3870	0.000	1	123.3870	0.000	1	123.3870	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])2(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])2(O){1|C<4>,2|H<1>,4|C<3>}	119.6650	0.000	1	119.6650	0.000	1	119.6650	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	122.6500	0.332	2	122.6500	0.110	2	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	117.9650	0.000	1	117.9650	0.000	1	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	123.1950	0.000	1	123.1950	0.000	1	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Pt<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.5920	0.000	1	123.8567	2.742	7	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Ti<9>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	124.4740	0.378	2	123.8567	2.742	7	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Zn<6>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.6030	0.000	1	123.8567	2.742	7	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Ni<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	123.7670	0.000	1	123.8567	2.742	7	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Y<14>,1|O<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|N<3>,2|H<1>}	123.2430	0.000	1	123.8567	2.742	7	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Yb<14>,1|O<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|N<3>,2|H<1>}	125.8440	0.000	1	123.8567	2.742	7	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2{1|Ir<8>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	125.6170	0.000	1	127.8538	3.475	4	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2{1|Pd<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	128.5993	1.370	3	127.8538	3.475	4	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2{1|Rh<6>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	126.1940	0.000	1	126.0775	0.027	2	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2{1|Ru<8>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	125.9610	0.000	1	126.0775	0.027	2	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	123.9665	0.665	2	123.9665	0.443	2	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Co<4>,1|Co<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.0290	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<3>,1|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	123.3585	0.217	2	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<4>,1|Cu<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	123.9620	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<5>,1|Pt<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	123.7600	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Ni<5>,1|Ni<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.5270	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Pd<3>,1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.0790	0.478	2	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Rh<4>,1|Rh<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	123.0480	0.735	2	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Rh<7>,1|B<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	123.0470	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Ru<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	123.1213	0.348	4	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Co<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.1320	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Co<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	122.8300	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Co<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	124.5210	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	123.5800	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	123.2450	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	125.3270	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	124.1100	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	123.4970	0.223	2	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Fe<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	124.3980	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	126.4685	0.040	2	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.4912	1.163	5	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.1530	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	123.5130	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Pd<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	123.6420	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Re<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	123.0950	0.000	1	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Rh<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	123.9650	1.330	3	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	122.8158	0.454	15	123.7934	1.393	54	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,3|C<3>,3|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	124.3190	0.000	1	124.3190	0.000	1	123.9747	2.911	74	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	116.6040	0.000	2	116.6040	0.000	2	120.3577	3.450	31	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	116.8340	0.000	1	116.8340	0.000	1	120.3577	3.450	31	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Co<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	121.4980	1.258	3	120.6819	2.628	23	120.3577	3.450	31	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Hg<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	119.5045	1.072	4	120.6819	2.628	23	120.3577	3.450	31	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	120.7850	1.429	4	120.6819	2.628	23	120.3577	3.450	31	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<7>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	119.9160	0.000	1	120.6819	2.628	23	120.3577	3.450	31	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Pt<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	122.5600	0.697	2	120.6819	2.628	23	120.3577	3.450	31	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Re<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	119.9105	1.170	2	120.6819	2.628	23	120.3577	3.450	31	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ru<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	121.3550	0.000	1	120.6819	2.628	23	120.3577	3.450	31	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	120.6367	2.295	6	120.6819	2.628	23	120.3577	3.450	31	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|H<1>,1|N<3>,3|C<3>}	121.0726	0.179	5	121.0726	0.032	5	120.3577	3.450	31	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	116.2310	0.000	1	116.2310	0.000	1	116.2310	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]H)(H)	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]H)(H){1|O<1>,4|C<3>}	118.7940	0.000	1	118.7940	0.000	1	121.5494	2.504	5	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ir<8>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.3120	0.000	1	122.2382	0.175	4	121.5494	2.504	5	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Os<9>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.3090	0.000	1	122.2382	0.175	4	121.5494	2.504	5	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Rh<8>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.6640	0.000	1	122.2382	0.175	4	121.5494	2.504	5	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ru<9>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.6680	0.000	1	122.2382	0.175	4	121.5494	2.504	5	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]B[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]B[6]C)(H){1|C<2>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<3>,1|O<2>,2|H<1>}	120.7750	0.000	1	120.7750	0.000	1	120.7750	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	120.7240	0.000	1	120.7240	0.000	1	120.7240	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	116.9890	0.000	1	116.9890	0.000	1	116.9890	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	119.5230	0.000	1	119.5230	0.000	1	119.5230	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|V<7>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,1|V<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	118.6750	0.000	1	118.2360	0.385	2	118.2360	0.385	2	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|W<10>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|W<10>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	117.7970	0.000	1	118.2360	0.385	2	118.2360	0.385	2	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,1|O<1>,2|C<3>}	119.4950	0.000	1	119.4950	0.000	1	119.4950	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	118.7050	0.000	1	118.7050	0.000	1	118.7050	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:N[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]N[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6a]C[6])(O)	C[6,6](C[6]C[6,6a]H)(N[6,6]C[6]2)(C[6]N[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6a]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	120.6170	0.000	1	120.6170	0.000	1	120.6170	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	122.1450	0.000	1	122.0105	0.036	2	121.0350	2.333	4	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	121.8760	0.000	1	122.0105	0.036	2	121.0350	2.333	4	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6,6]N[6,6]C[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	121.3160	0.000	1	121.3160	0.000	1	121.0350	2.333	4	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	118.8030	0.000	1	118.8030	0.000	1	121.0350	2.333	4	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	122.2150	0.000	1	122.2150	0.000	1	122.2150	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6,6]N[6,6]C[6])2(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])2(H){2|B<4>,2|H<1>,3|C<3>}	124.9250	0.000	1	124.9250	0.000	1	121.4500	9.103	3	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6]N[6,6]C[6])2(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])2(H){1|B<4>,2|H<1>,4|C<3>}	119.7125	0.303	2	119.7125	0.092	2	121.4500	9.103	3	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	122.3970	0.000	1	122.3970	0.000	1	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]C)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	122.1640	0.000	1	122.1640	0.000	1	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	122.9900	0.000	1	122.9900	0.000	1	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H){1|B<4>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	121.6020	0.000	1	121.8932	0.152	4	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	122.4360	0.000	1	121.8932	0.152	4	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H){1|B<4>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	121.7675	0.211	2	121.8932	0.152	4	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	123.1738	0.439	6	123.1738	0.192	6	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|H<1>,2|C<3>}	123.4235	0.248	4	123.4334	0.131	9	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|H<1>,2|C<3>}	123.4414	0.465	5	123.4334	0.131	9	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2{2|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.1940	0.000	1	121.1940	0.000	1	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]C)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	120.0386	0.486	14	120.0386	0.236	14	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	119.1758	0.269	6	119.1758	0.072	6	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]Nb[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](N[6,6]Nb[6]C[6])(C[6]C[6]H)2{1|C<3>,1|C<4>,2|H<1>,5|O<2>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Nb<6>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|Nb<6>,1|H<1>,2|C<3>}	119.3140	0.000	1	119.3140	0.000	1	121.3903	2.956	44	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:O-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(N[6]O[6]C)(O)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]N[6,6]C[6])(N[6]O[6]C)(O){1|B<4>,1|H<1>,2|C<3>}	119.7880	0.000	1	119.7880	0.000	1	119.7880	0.000	1	122.1874	5.871	176	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OC)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OC){1|H<1>,1|O<1>,3|C<3>}	121.4000	0.000	1	121.4000	0.000	1	121.4000	0.000	1	123.3762	1.190	10	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:C-2:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])2(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	122.7530	0.435	4	122.7530	0.190	4	123.5549	0.893	8	123.3762	1.190	10	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:C-2:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	C[6](C[6,6]N[6,6]C[6])2(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|C<2>,2|C<3>}	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	124.6260	0.000	1	124.6260	0.000	1	123.5549	0.893	8	123.3762	1.190	10	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:C-2:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H)	C[6](C[6,6]N[6,6]C[6])2(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,2|F<1>,2|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H){1|B<4>,1|C<2>,2|C<3>}	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	123.7390	0.000	1	123.7390	0.000	1	123.5549	0.893	8	123.3762	1.190	10	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:C-2:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H)	C[6](C[6,6]N[6,6]C[6])2(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H){1|B<4>,1|C<2>,2|C<3>}	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	124.5310	0.144	2	124.5310	0.021	2	123.5549	0.893	8	123.3762	1.190	10	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6](N[6,6]C[6]S[6])(C[6]C[6a]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O)	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6,6](N[6,6]C[6]S[6])(C[6]C[6a]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O){1|C<4>,1|N<2>,1|O<2>,1|S<4>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|O<1>,1|S<4>,4|C<3>,4|H<1>}	123.9230	0.000	1	123.9230	0.000	1	123.9230	0.000	1	123.3762	1.190	10	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	124.3840	0.000	1	124.3840	0.000	1	124.3840	0.000	1	124.4085	0.001	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:N[6]-3:C-4:	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O)	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3)	C[6,6](N[6,6]C[6]S[6])(C[6]C[6,6a]O)(C[6]N[6]C){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]N[6,6]C[6])(O){1|C<3>,1|N<2>,1|N<3>,1|S<4>,3|C<4>}	C[6](C[6,6]N[6,6]C[6])(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|S<4>,2|H<1>}	124.4330	0.000	1	124.4330	0.000	1	124.4330	0.000	1	124.4085	0.001	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[3x6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[3x6]C[6,6]2)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.0400	0.000	1	120.0400	0.000	1	120.0400	0.000	1	119.7434	3.045	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[3x6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[3x6]H)(C[6]C[6]O)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[3x6]H)(C[6]C[6]O){3|C<4>,4|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6,6]C[6,6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.9830	0.000	1	120.9830	0.000	1	120.9830	0.000	1	119.7434	3.045	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.9210	0.000	1	121.5200	0.322	2	121.5200	0.322	2	119.7434	3.045	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.1190	0.000	1	121.5200	0.322	2	121.5200	0.322	2	119.7434	3.045	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]OO)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]OO)(O){1|O<1>,4|C<3>}	117.1170	0.000	1	117.1170	0.000	1	117.1170	0.000	1	119.7434	3.045	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	118.5120	0.279	2	118.5120	0.078	2	118.5120	0.078	2	119.7434	3.045	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.8470	0.000	1	118.8470	0.000	1	118.8470	0.000	1	122.6111	2.176	15	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	122.3360	0.572	4	122.3360	0.327	4	123.2242	1.048	10	122.6111	2.176	15	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|F<1>}	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|C<2>,2|C<3>}	124.3050	0.048	2	124.3050	0.002	2	123.2242	1.048	10	122.6111	2.176	15	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]H)(H){1|B<4>,1|C<2>,2|C<3>}	123.1850	0.000	1	122.8310	0.251	2	123.2242	1.048	10	122.6111	2.176	15	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]H)(H){1|B<4>,1|C<2>,2|C<3>}	122.4770	0.000	1	122.8310	0.251	2	123.2242	1.048	10	122.6111	2.176	15	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H){1|B<4>,1|C<2>,2|C<3>}	124.2050	0.000	1	124.2050	0.000	1	123.2242	1.048	10	122.6111	2.176	15	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	C[6](C[5,6]N[5,6]S[5])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H){1|B<4>,1|C<2>,2|C<3>}	124.4210	0.000	1	124.4210	0.000	1	123.2242	1.048	10	122.6111	2.176	15	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6,6]N[6,6]C[6])(CN){1|B<4>,1|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	122.4935	0.255	2	122.4935	0.065	2	122.4935	0.065	2	122.6111	2.176	15	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6,6a])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6a]N[6])(C[6]C[6]H){1|O<2>,2|F<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6,6a]){1|B<4>,3|H<1>,5|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|N<2>,4|C<3>}	121.5450	0.860	2	121.5450	0.739	2	121.5450	0.739	2	122.6111	2.176	15	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	121.9160	0.000	1	121.9160	0.000	1	121.9160	0.000	1	121.9160	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[6]-2:H-1:	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H){1|N<3>,1|O<2>,3|C<3>}	124.9100	0.000	1	124.9100	0.000	1	124.9100	0.000	1	124.9100	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	124.5860	0.000	1	124.5860	0.000	1	124.3067	0.206	3	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(CCO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,3|C<3>}	124.5510	0.000	1	124.5510	0.000	1	124.3067	0.206	3	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,3|C<3>}	123.7830	0.000	1	123.7830	0.000	1	124.3067	0.206	3	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|N<3>,2|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	122.7630	0.000	1	122.7630	0.000	1	122.7630	0.000	1	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	119.6540	0.000	1	119.6540	0.000	1	119.6540	0.000	1	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]P[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]P[6])(C[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|P<4>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,1|P<4>,3|C<3>}	120.4380	0.000	1	120.4380	0.000	1	121.9895	4.814	2	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]N[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]N[6]2)(C[6]C[6]H){1|Rh<4>,1|Rh<5>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<2>,2|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|N<3>,3|C<3>}	123.5410	0.000	1	123.5410	0.000	1	121.9895	4.814	2	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	N[5a,6]-3:C[6,6]-3:C-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<3>}	119.2790	0.000	1	119.2790	0.000	1	119.2790	0.000	1	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(C[6]C[6,6]2)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])2(C[6]C[6,6]2){1|B<4>,2|H<1>,2|N<3>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	122.3400	0.423	3	122.3400	0.179	3	122.3400	0.179	3	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	123.5093	0.271	3	123.5093	0.073	3	123.5490	0.306	15	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	123.2183	0.137	3	123.2183	0.019	3	123.5490	0.306	15	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	123.1393	0.213	3	123.0395	0.070	4	123.5490	0.306	15	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	122.7400	0.000	1	123.0395	0.070	4	123.5490	0.306	15	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	124.0880	0.000	1	123.8455	0.118	2	123.5490	0.306	15	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	123.6030	0.000	1	123.8455	0.118	2	123.5490	0.306	15	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,3|C<3>}	124.5090	0.000	1	124.5090	0.000	1	123.5490	0.306	15	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H){1|B<4>,3|C<3>}	124.2220	0.000	1	124.2220	0.000	1	123.5490	0.306	15	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,2|F<1>,2|O<2>,3|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H){1|B<4>,3|C<3>}	124.4720	0.000	1	124.4720	0.000	1	123.5490	0.306	15	123.0327	1.917	26	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){2|C<3>,2|C<4>}	124.2883	0.644	4	124.2883	0.415	4	125.0798	2.474	9	123.7598	6.041	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	124.1725	0.088	2	124.1725	0.008	2	125.0798	2.474	9	123.7598	6.041	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H){1|Co<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|N<3>}	127.7440	0.267	2	126.7400	3.060	3	125.0798	2.474	9	123.7598	6.041	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H){2|Cu<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	124.7320	0.000	1	126.7400	3.060	3	125.0798	2.474	9	123.7598	6.041	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Si-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	121.1660	0.000	1	120.7897	0.578	4	120.7897	0.578	4	123.7598	6.041	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Si-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	121.5680	0.000	1	120.7897	0.578	4	120.7897	0.578	4	123.7598	6.041	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Si-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	119.8130	0.000	1	120.7897	0.578	4	120.7897	0.578	4	123.7598	6.041	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Si-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Fe<5>,1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	120.6120	0.000	1	120.7897	0.578	4	120.7897	0.578	4	123.7598	6.041	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:4:1:	3:2:3:	C[6,6,6a]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:N[6]-2:C-3:	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6]C[6,6,6a]C[6])(C[6]N[6]CC)(H)	C[6](C[6,6]C[6,6,6a]C[6])(N[6]N[6])(COO)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<2>,2|C<4>,2|N<3>}	C[6](C[6,6]C[6,6,6a]C[6])(C[6]N[6]CC)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6]C[6,6,6a]C[6])(N[6]N[6])(COO){1|C<4>,1|H<1>,3|C<3>}	127.6400	0.000	1	127.6400	0.000	1	127.6400	0.000	1	127.6400	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6])2(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])2(O){1|C<4>,2|H<1>,4|C<3>}	120.0140	0.000	1	120.0140	0.000	1	120.0140	0.000	1	119.2014	0.929	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	119.5080	0.448	2	119.5080	0.201	2	120.2710	1.847	3	119.2014	0.929	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]H)(H){1|O<1>,1|O<2>,4|C<4>}	121.7970	0.000	1	121.7970	0.000	1	120.2710	1.847	3	119.2014	0.929	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	118.6250	0.226	8	118.6250	0.051	8	118.7546	0.196	9	119.2014	0.929	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	119.7910	0.000	1	119.7910	0.000	1	118.7546	0.196	9	119.2014	0.929	13	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.1080	0.000	1	120.1080	0.000	1	120.1080	0.000	1	120.1080	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	121.2620	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6,6]O)(C[6]C[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>}	121.7200	0.000	1	121.7200	0.000	1	120.8290	0.595	3	120.8290	0.595	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]O)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|O<1>}	120.3835	0.009	2	120.3835	0.000	2	120.8290	0.595	3	120.8290	0.595	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:O-1:	C[3,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O){1|O<2>,2|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O){1|O<1>,3|H<1>,5|C<4>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6])(O){1|O<1>,4|C<4>}	117.7560	0.000	1	117.7560	0.000	1	117.7560	0.000	1	117.7560	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:3:	3:3:1:	3:4:2:	C[6]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]3)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]3)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.0380	0.000	1	119.0380	0.000	1	119.0380	0.000	1	119.0380	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[6]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|Cl<1>,1|O<1>,3|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,3|H<1>}	121.4970	0.000	1	121.4970	0.000	1	121.4970	0.000	1	121.4970	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:4:3:	4:3:2:	3:3:1:	C[6]-3:C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6,6]-3:O-2:	C[5a,6]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[5,6,6]O)(C[6,6]C[6]2H)(C[6]C[5a,6]O)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6])(OH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[5,6,6]O)(C[6,6]C[6]2H)(C[6]C[5a,6]O){1|N<4>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6,6]C[6,6]C[6])(OH){1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|N<2>,3|C<4>,3|O<2>}	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	119.3920	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:2:1:	3:2:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]O[6]H)(C[6]O[6]O)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6])(H)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O)	C[6,6](C[3x6]O[6,6]C[6]2)(C[6]O[6]H)(C[6]O[6]O){3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O){2|C<4>,2|O<2>,3|H<1>}	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	117.3340	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:2:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(C[6]O[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[5,6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.4830	0.082	2	120.4830	0.007	2	120.4830	0.007	2	120.4830	0.007	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:2:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C-4:	C[6,6]-3:N[5,6]-3:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]C[5])(O)	C[6,6](C[6,6]C[6]2H)(C[6]N[5,6]O)(C[6]O[6]C){3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[5,6]C[5,6]C[5])(O){1|O<2>,4|H<1>,5|C<4>}	121.9440	0.000	1	121.9440	0.000	1	121.9440	0.000	1	121.9440	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5a,6]C[6]H)(C[6]C[6]O)(C[6]O[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[5a,6])(CC[6a]HH){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	121.2040	0.000	1	121.2040	0.000	1	121.2040	0.000	1	121.2040	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]O[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.9320	0.000	1	122.9320	0.000	1	122.9320	0.000	1	120.8870	8.364	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]N[6,6]H)(C[6]O[6]O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6,6]C[6,6]C[6])(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|N<3>,2|C<4>,4|H<1>}	118.8420	0.000	1	118.8420	0.000	1	118.8420	0.000	1	120.8870	8.364	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	123.9017	0.920	4	123.9148	0.635	5	122.9416	3.195	7	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	123.9670	0.000	1	123.9148	0.635	5	122.9416	3.195	7	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	120.5085	0.228	2	120.5085	0.052	2	122.9416	3.195	7	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6])(N[6]C[6]C)(H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[3x6]C[6])(N[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	121.8380	0.000	1	121.8380	0.000	1	121.8380	0.000	1	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5,5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6]C[5,5,6,6]C[6])(C[6,6a]C[6,6a]C[6a])(O)	C[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6](C[6,6]C[5,5,6,6]C[6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	119.7595	0.743	2	119.7595	0.552	2	119.7595	0.552	2	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])2(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	121.4760	0.000	1	121.4760	0.000	1	121.4760	0.000	1	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6,6a]2C)(C[6]C[6]H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]H)(H)	C[6,6](C[5,6,6]C[5,6,6a]2C)(C[6]C[6]H)2{2|H<1>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	127.8330	0.000	1	127.8330	0.000	1	127.9534	0.257	5	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2Ca)(C[6]C[6]H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2Ca)(C[6]C[6]H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|Ca<12>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|Ca<12>,1|C<3>,2|H<1>,3|C<4>}	127.9835	0.580	4	127.9835	0.336	4	127.9534	0.257	5	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Br-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6]Dy)(C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(Br)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]Dy)(C[6]C[6]Br)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(Br){1|Dy<13>,1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Dy<13>,1|Br<1>,1|C<3>,1|N<3>,2|C<4>}	126.1213	0.355	3	126.1213	0.126	3	126.1213	0.126	3	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	124.2610	0.000	1	124.8455	0.588	4	124.8455	0.588	4	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	125.0403	0.808	3	124.8455	0.588	4	124.8455	0.588	4	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(H)	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(H){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	122.2920	0.000	1	122.2920	0.000	1	121.7245	0.969	4	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	120.4370	0.000	1	120.4370	0.000	1	121.7245	0.969	4	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	121.5070	0.000	1	121.5070	0.000	1	121.7245	0.969	4	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	122.6620	0.000	1	122.6620	0.000	1	121.7245	0.969	4	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:Br-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Br)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Br){1|C<3>,2|H<1>,4|C<4>}	121.8940	0.000	1	121.8940	0.000	1	121.8940	0.000	1	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Cl)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Cl){1|C<3>,2|H<1>,4|C<4>}	121.6540	0.000	1	121.6540	0.000	1	121.6540	0.000	1	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	119.7080	0.000	2	119.7080	0.000	2	123.5097	13.356	23	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	119.4550	0.000	1	120.6833	0.833	7	123.5097	13.356	23	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	122.3790	0.000	1	120.6833	0.833	7	123.5097	13.356	23	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	120.3280	0.000	1	120.6833	0.833	7	123.5097	13.356	23	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	120.6552	0.402	4	120.6833	0.833	7	123.5097	13.356	23	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	120.7647	0.270	3	120.7647	0.073	3	123.5097	13.356	23	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,4|C<4>}	120.0810	0.000	1	120.0810	0.000	1	123.5097	13.356	23	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	123.9370	0.000	1	123.9370	0.000	1	123.5097	13.356	23	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6]Os)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]Os)(C[6]C[6]H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|Os<8>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Os<8>,1|N<3>,2|C<3>,2|H<1>}	128.3835	0.043	2	128.3835	0.002	2	123.5097	13.356	23	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6]Ti)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]Ti)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<12>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<12>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.4580	0.694	5	127.6140	0.531	6	123.5097	13.356	23	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6]Ti)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]Ti)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<8>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<8>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	128.3940	0.000	1	127.6140	0.531	6	123.5097	13.356	23	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2Ru)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2Ru)(C[6]C[6]H)2{2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ru<7>,1|C<3>,2|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<3>,2|N<3>}	127.7620	0.000	1	127.7620	0.000	1	123.5097	13.356	23	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O){1|C<3>,1|H<1>,4|C<4>}	118.2320	0.000	1	118.2320	0.000	1	118.2320	0.000	1	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])2(O)	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])2(O){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	121.9550	1.574	4	121.9550	2.477	4	121.9550	2.477	4	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6,6]C[6])(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	122.6650	0.000	1	122.6650	0.000	1	122.6650	0.000	1	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]H)(C[6]C[6,6a]O){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|Br<1>,1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	121.9260	0.000	1	121.9260	0.000	1	121.9260	0.000	1	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(H){1|O<1>,2|O<2>,3|C<3>}	121.0755	0.582	2	121.0755	0.339	2	122.5092	2.854	4	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	123.9430	0.000	2	123.9430	0.000	2	122.5092	2.854	4	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]N[6]H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]S)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	121.2830	0.000	1	121.2830	0.000	1	121.2830	0.000	1	123.3228	8.874	65	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:2:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC){1|H<1>,2|C<4>,3|C<3>}	122.3085	0.071	2	122.3085	0.005	2	122.3085	0.005	2	121.8138	2.993	5	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:2:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(OH)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.8900	0.000	1	121.8900	0.000	1	121.8900	0.000	1	121.8138	2.993	5	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]O)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	118.9460	0.000	1	118.9460	0.000	1	118.9460	0.000	1	121.8138	2.993	5	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(NN)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|N<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(NN){1|H<1>,2|C<3>,3|C<4>}	123.6160	0.000	1	123.6160	0.000	1	123.6160	0.000	1	121.8138	2.993	5	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	121.2650	0.000	1	121.2650	0.000	1	121.2650	0.000	1	121.2650	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:4:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	119.0490	0.000	1	119.0490	0.000	1	119.0490	0.000	1	120.8310	1.837	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5a,6]O)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5a,6]O)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	117.3680	0.000	1	117.3680	0.000	1	117.3680	0.000	1	120.8310	1.837	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	119.4340	0.000	1	119.4340	0.000	1	119.4340	0.000	1	120.8310	1.837	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	121.4640	0.000	1	121.4640	0.000	1	121.9990	0.572	2	120.8310	1.837	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6,6]C[6,6]C[6])(H){1|O<1>,2|C<4>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	122.5340	0.000	1	122.5340	0.000	1	121.9990	0.572	2	120.8310	1.837	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	121.3094	0.419	9	121.3094	0.175	9	121.3094	0.175	9	120.8310	1.837	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	3:4:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:N-2:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NN)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]H)(C[6]C[6]N){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NN){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	123.9030	0.000	1	123.9030	0.000	1	123.9030	0.000	1	123.9030	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:1:	4:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6a]O)(C[6]C[6,6]O){2|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6,6]C[6])(OH){2|C<3>,2|H<1>,2|O<1>,3|C<4>}	119.2596	0.224	5	119.2596	0.050	5	119.2596	0.050	5	119.2596	0.050	5	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:2:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O){1|C<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<2>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.9350	0.000	1	121.0490	0.026	2	121.0490	0.026	2	121.0490	0.026	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:2:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]O[6]O){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	121.1630	0.000	1	121.0490	0.026	2	121.0490	0.026	2	121.0490	0.026	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6a])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6a]){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	121.4320	0.000	1	121.4320	0.000	1	121.4320	0.000	1	121.3587	4.277	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]S)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H){1|S<4>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OC){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	123.3890	0.000	1	123.3890	0.000	1	123.3890	0.000	1	121.3587	4.277	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)2{1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH){1|C<2>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<2>,1|C<4>,2|O<2>,4|C<3>}	119.2550	0.000	1	119.2550	0.000	1	119.2550	0.000	1	121.3587	4.277	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:2:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6a]O)(C[6]C[6]O){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	119.9360	0.000	1	119.9360	0.000	1	119.9360	0.000	1	119.9360	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:N[6]-3:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6])(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]N[6])(C[6]O[6]O){1|C<4>,1|S<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(N[6]C[6]S){1|C<4>,1|O<1>,1|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	120.7760	0.000	1	120.7760	0.000	1	120.7760	0.000	1	120.7760	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	126.1030	0.000	1	126.1030	0.000	1	126.1030	0.000	1	126.1030	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(CCO){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	121.8650	0.000	1	121.8650	0.000	1	121.8650	0.000	1	121.9585	0.017	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:3:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:N-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]N)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NHH){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<2>,3|H<1>}	122.0520	0.000	1	122.0520	0.000	1	122.0520	0.000	1	121.9585	0.017	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:	3:2:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:O[6]-2:C-4:	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH)	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3)	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH){1|O<2>,1|P<4>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3){1|H<1>,1|P<4>,2|C<4>,3|C<3>}	122.0290	0.000	1	122.0290	0.000	1	122.0290	0.000	1	122.0290	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	123.5520	0.000	1	123.5520	0.000	1	123.1153	0.607	3	123.1153	0.607	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	122.2160	0.000	1	122.2160	0.000	1	123.1153	0.607	3	123.1153	0.607	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	123.5780	0.000	1	123.5780	0.000	1	123.1153	0.607	3	123.1153	0.607	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|C<3>,2|H<1>,3|C<4>}	121.8485	0.694	4	121.8485	0.481	4	121.8485	0.481	4	121.8485	0.481	4	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:2:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6a])(O)	C[6,6](C[3x6]C[6,6,6a]C[6,6]H)(C[6]C[6]H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	120.1290	0.000	1	120.1290	0.000	1	119.7550	0.280	2	118.1550	1.945	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:2:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[3x6]C[6])(O[6]C[5,6,6])(O)	C[6,6](C[3x6]C[6,6]O[6,6]C[6])(C[6]C[6]H)(C[6]O[6]O){1|O<1>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[5,6,6])(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.3810	0.000	1	119.3810	0.000	1	119.7550	0.280	2	118.1550	1.945	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3x6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	118.3320	0.000	1	118.3320	0.000	1	117.8883	1.731	12	118.1550	1.945	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	118.2290	2.617	3	118.4480	4.759	4	117.8883	1.731	12	118.1550	1.945	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){2|H<1>,5|C<4>}	119.1050	0.000	1	118.4480	4.759	4	117.8883	1.731	12	118.1550	1.945	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]O[6]O){3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,2|H<1>,4|C<4>}	116.7990	0.000	1	116.7990	0.000	1	117.8883	1.731	12	118.1550	1.945	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,3|C<4>,3|H<1>}	117.4120	0.000	1	117.5486	0.384	5	117.8883	1.731	12	118.1550	1.945	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){3|H<1>,4|C<4>}	117.5828	0.710	4	117.5486	0.384	5	117.8883	1.731	12	118.1550	1.945	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6]H)(C[6]O[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,3|O<2>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6a])(O){2|C<3>,2|C<4>,2|H<1>}	117.9940	0.000	1	117.9940	0.000	1	117.8883	1.731	12	118.1550	1.945	14	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]H)2{4|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H){1|N<3>,3|C<4>,3|H<1>}	122.7350	0.000	1	122.7350	0.000	1	122.7350	0.000	1	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CH)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[5,6]H)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[5,6]H)(O){1|O<2>,2|H<1>,3|C<4>}	119.6320	0.000	1	119.6320	0.000	1	119.6320	0.000	1	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,4|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])2(H){1|H<1>,1|O<1>,1|O<2>,6|C<4>}	123.3450	0.000	2	123.8320	0.712	3	123.8320	0.712	3	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H){5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])2(H){2|H<1>,2|O<2>,6|C<4>}	124.8060	0.000	1	123.8320	0.712	3	123.8320	0.712	3	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	123.2400	0.000	1	123.2400	0.000	1	123.6130	7.516	3	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|O<1>,2|H<1>,3|C<4>}	121.0770	0.000	1	123.7995	14.824	2	123.6130	7.516	3	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2{2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	126.5220	0.000	1	123.7995	14.824	2	123.6130	7.516	3	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O)	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]O){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6,6]C[6])2(H){1|H<1>,1|O<1>,1|O<2>,6|C<4>}	122.5990	0.000	2	122.5990	0.000	2	122.5990	0.000	2	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[5,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[5,6]C[5,6,6]O[5])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	118.1020	0.560	2	118.1020	0.314	2	118.1020	0.314	2	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){3|C<4>,4|H<1>}	121.1030	0.000	1	121.1030	0.000	1	121.1148	0.103	9	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,4|H<1>}	121.3120	0.000	1	121.3120	0.000	1	121.1148	0.103	9	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)2{1|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){3|H<1>,4|C<4>}	120.9542	0.209	5	120.9542	0.044	5	121.1148	0.103	9	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,4|H<1>}	121.0430	0.000	1	121.4235	0.290	2	121.1148	0.103	9	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	121.8040	0.000	1	121.4235	0.290	2	121.1148	0.103	9	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|O<2>,4|C<4>}	119.9890	0.000	1	119.9890	0.000	1	119.9915	0.000	2	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,4|C<4>}	119.9940	0.000	1	119.9940	0.000	1	119.9915	0.000	2	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|H<1>,3|C<3>,3|C<4>}	118.1290	0.000	1	118.1290	0.000	1	118.1290	0.000	1	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	119.4540	0.000	1	119.4540	0.000	1	117.5853	0.969	6	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|N<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|O<1>,2|H<1>,4|C<4>}	117.0325	0.104	2	117.0325	0.011	2	117.5853	0.969	6	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	117.3310	0.518	3	117.3310	0.269	3	117.5853	0.969	6	120.6587	5.884	30	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	122.3370	0.000	1	122.3370	0.000	1	121.3380	0.814	7	121.3380	0.814	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<2>,1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC){3|H<1>,4|C<4>}	120.1985	0.248	2	120.1985	0.062	2	121.3380	0.814	7	121.3380	0.814	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	122.0940	0.000	1	122.0940	0.000	1	121.3380	0.814	7	121.3380	0.814	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	121.4910	0.000	1	121.4910	0.000	1	121.3380	0.814	7	121.3380	0.814	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|C<2>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	122.0550	0.000	1	122.0550	0.000	1	121.3380	0.814	7	121.3380	0.814	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	120.9920	0.000	1	120.9920	0.000	1	121.3380	0.814	7	121.3380	0.814	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<1>,2|H<1>,3|C<4>}	122.6020	0.000	1	122.6020	0.000	1	122.1175	0.469	2	122.1175	0.469	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,3|C<4>,3|H<1>}	121.6330	0.000	1	121.6330	0.000	1	122.1175	0.469	2	122.1175	0.469	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6,6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2C)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6,6]O)(C[6]C[6]H){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]2C)(O){3|H<1>,7|C<4>}	119.0000	0.000	1	119.0000	0.000	1	119.0000	0.000	1	118.1821	0.721	12	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){2|H<1>,5|C<4>}	118.2770	0.000	1	118.2770	0.000	1	118.1077	0.720	11	118.1821	0.721	12	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){3|C<4>,4|H<1>}	116.7240	0.000	1	116.7240	0.000	1	118.1077	0.720	11	118.1821	0.721	12	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	118.6005	0.040	2	118.6100	0.001	3	118.1077	0.720	11	118.1821	0.721	12	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	118.6290	0.000	1	118.6100	0.001	3	118.1077	0.720	11	118.1821	0.721	12	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(H){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	117.7828	0.740	5	117.7828	0.548	5	118.1077	0.720	11	118.1821	0.721	12	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|O<2>,3|C<4>,3|H<1>}	119.4400	0.000	1	119.4400	0.000	1	118.1077	0.720	11	118.1821	0.721	12	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]CH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H){2|O<2>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6,6]CH)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){3|C<4>,3|H<1>}	117.9657	0.121	3	117.9657	0.015	3	118.5175	1.228	4	118.5175	1.228	4	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:1:	4:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[3,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[3,6]O)(C[6]C[6]H){1|C<3>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){3|C<4>,3|H<1>}	120.1730	0.000	1	120.1730	0.000	1	118.5175	1.228	4	118.5175	1.228	4	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:2:	3:2:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O)	C[6,6](C[3x6]C[6,6]2H)(C[6]C[6]O)(C[6]O[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	118.1510	0.000	1	118.1510	0.000	1	118.1510	0.000	1	118.1667	0.152	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:2:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(C[6]O[6]O){1|N<3>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(OH){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	118.4010	0.000	1	118.4010	0.000	1	118.1693	0.182	6	118.1667	0.152	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:2:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|H<1>,1|O<2>,5|C<4>}	118.0900	0.000	1	117.9865	0.021	2	118.1693	0.182	6	118.1667	0.152	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:2:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|O<2>,2|H<1>,4|C<4>}	117.8830	0.000	1	117.9865	0.021	2	118.1693	0.182	6	118.1667	0.152	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:2:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	117.8610	0.123	2	118.2140	0.381	3	118.1693	0.182	6	118.1667	0.152	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:2:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]O)(C[6]O[6]O){2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|O<2>,2|H<1>,4|C<4>}	118.9200	0.000	1	118.2140	0.381	3	118.1693	0.182	6	118.1667	0.152	7	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,3|O<2>}	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	119.7490	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:2:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]HH)(OC){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	127.1060	0.000	1	127.1060	0.000	1	127.1060	0.000	1	127.1060	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[3x6]C[6,6]O[6]2)(C[6]C[6]O)2{2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]CC)(O){1|O<1>,2|C<4>,3|O<2>}	120.8175	0.767	2	120.8175	0.589	2	120.8175	0.589	2	120.8175	0.589	2	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,2|C<3>,3|C<4>}	121.2390	0.000	1	120.6380	0.722	2	121.2130	0.926	5	121.2130	0.926	5	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(CHH){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,4|C<4>}	120.0370	0.000	1	120.6380	0.722	2	121.2130	0.926	5	121.2130	0.926	5	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]H)(CC[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5]C[6]H)(CC[6]H){1|C<3>,3|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	121.0505	0.305	2	121.0505	0.093	2	121.2130	0.926	5	121.2130	0.926	5	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]2H)(CHH){2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	122.6880	0.000	1	122.6880	0.000	1	121.2130	0.926	5	121.2130	0.926	5	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:4:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|C<4>,9|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(CCHH){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){2|H<1>,5|C<4>}	123.1990	0.000	1	123.1990	0.000	1	123.1990	0.000	1	123.1990	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[5,6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]C)(C[6]C[6]O){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[6]O[5]2)(CH3){1|O<1>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|H<1>,5|C<4>}	120.3310	0.000	1	120.3310	0.000	1	120.3310	0.000	1	121.0987	0.794	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){2|H<1>,5|C<4>}	120.8890	0.000	1	120.8890	0.000	1	121.4825	0.704	2	121.0987	0.794	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	3:4:4:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|H<1>,5|C<4>}	122.0760	0.000	1	122.0760	0.000	1	121.4825	0.704	2	121.0987	0.794	3	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	4:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[6,6]-3:H-1:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]H)(C[6]O[6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6]2H)(C[6]C[3,6]H)(C[6]O[6]O){1|O<2>,2|C<4>,5|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){3|C<4>,4|H<1>}	117.5520	0.000	1	117.5520	0.000	1	117.5520	0.000	1	117.5520	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	4:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6])(H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<4>}	120.1070	0.000	1	120.1070	0.000	1	120.1070	0.000	1	120.1070	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	4:3:1:	3:3:4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]C){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,3|C<4>,3|H<1>}	122.4650	0.000	1	122.4650	0.000	1	122.4650	0.000	1	122.4650	0.000	1	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	4:3:1:	3:4:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]C[6])(O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]O)(C[6]C[6]H){5|C<4>,6|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[5,6,6]C[6])(O){2|H<1>,2|O<2>,6|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]HH)(H){1|O<1>,1|O<2>,5|C<4>}	120.0030	0.000	1	120.0030	0.000	1	120.0030	0.000	1	118.8967	2.494	6	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|C<3>,1|H<1>,3|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	117.1625	0.081	2	117.5063	0.358	3	118.6754	2.750	5	118.8967	2.494	6	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[5,6,6]C[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|C<3>,2|H<1>,2|O<2>,5|C<4>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6,6]C[6,6]C[6])(O){1|H<1>,2|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	118.1940	0.000	1	117.5063	0.358	3	118.6754	2.750	5	118.8967	2.494	6	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|O<1>,2|C<4>,2|O<2>}	120.3010	0.000	1	120.4290	0.033	2	118.6754	2.750	5	118.8967	2.494	6	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	4:3:1:	3:4:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6,6](C[6,6]C[5,6]O[6]O)(C[6]C[5,6]O)(C[6]C[6]H){1|O<2>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6])(O){2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|O<1>,2|C<4>,2|O<2>}	120.5570	0.000	1	120.4290	0.033	2	118.6754	2.750	5	118.8967	2.494	6	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	4:3:2:	3:3:1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[5,6]O)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6,6]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O)	C[6,6](C[5,6,6]C[5,5,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[5,6]O){1|O<1>,3|C<3>,3|H<1>,4|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6,6]C[6])(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6,6]C[6])(O){2|O<2>,3|C<3>,3|C<4>}	122.2435	0.388	2	122.2435	0.151	2	122.2435	0.151	2	121.2655	1.327	4	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	4:3:3:	4:3:2:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[6,6]-3:O-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[3,6]O)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]O[6]C)(C[6]C[6,6a]O)(C[6]C[3,6]O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<3>,3|C<4>,3|O<2>}	120.2875	0.074	2	120.2875	0.006	2	120.2875	0.006	2	121.2655	1.327	4	121.7862	6.654	514	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2){1|O<2>,3|C<2>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){1|C<4>,2|C<2>,3|C<3>}	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6]){1|H<1>,2|C<2>,3|C<3>}	122.1770	0.000	1	119.9535	9.888	2	119.9535	9.888	2	119.9535	9.888	2	119.8122	2.097	9	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2){1|O<2>,3|C<2>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){2|C<2>,4|C<3>}	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6]){1|H<1>,2|C<2>,3|C<3>}	117.7300	0.000	1	119.9535	9.888	2	119.9535	9.888	2	119.9535	9.888	2	119.8122	2.097	9	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-3:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6,6a]H)(N[6]C[6]Pt)	C[6,6](N[6,6]C[4,5,6,6]Pt)(C[6,6]C[4,5,4x6]H)(C[6]C[6]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6])(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6,6a]H)(N[6]C[6]Pt){2|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[4,5,6,6]Pt)(C[6,6]C[4,5,4x6]H)(C[6]C[6]N[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	120.7880	0.000	1	120.7880	0.000	1	120.7880	0.000	1	120.7880	0.000	1	119.8122	2.097	9	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])2(C[6]C[6,6]2)	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(C[6]C[6,6]2)	C[6](C[6,6]N[6,6]C[6])2(C[6]C[6,6]2){1|B<4>,2|H<1>,2|N<3>,6|C<3>}	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6]N[6,6]C[6])2(C[6]C[6,6]2){1|B<4>,2|H<1>,2|N<3>,6|C<3>}	119.5353	1.077	4	119.5353	1.159	4	119.5353	1.159	4	119.5353	1.159	4	119.8122	2.097	9	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[3x6]-4:C[3x6]-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2	C[6](C[6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]H){3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2{2|C<4>,3|C<3>,9|H<1>}	C[6](C[6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>}	118.7120	0.000	1	118.7120	0.000	1	118.7120	0.000	1	119.7370	2.101	2	119.8122	2.097	9	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:4:4:	3:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[3x6]-4:C[3x6]-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2	C[6](C[6]C[6,6a]C[6,6])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]O){3|C<3>,4|C<4>,4|H<1>}	C[6,6](C[6]C[6,6a]C[6])(C[3x6]C[6,6]2H)2{1|O<1>,2|C<4>,3|C<3>,8|H<1>}	C[6](C[6]C[6,6a]C[6,6])(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|C<4>}	120.7620	0.000	1	120.7620	0.000	1	120.7620	0.000	1	119.7370	2.101	2	119.8122	2.097	9	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|N<3>,2|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	120.0050	0.000	1	122.2147	3.671	3	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2){1|O<1>,2|H<1>,6|C<3>}	123.3195	0.134	2	123.3195	0.018	2	123.3195	0.018	2	123.3195	0.018	2	122.2147	3.671	3	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-2:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<3>,3|C<3>}	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	120.4970	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:Se[6]-2:C[6]-2:	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6])	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Se<2>,1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]2)(Se[6]C[6])(C[6]C[6]){1|H<1>,6|C<3>}	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6])(H){1|C<2>,2|C<3>}	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,2|C<3>}	123.2280	0.000	1	121.9640	1.679	3	121.9640	1.679	3	121.9640	1.679	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	121.3320	0.980	2	121.9640	1.679	3	121.9640	1.679	3	121.9640	1.679	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6])(COO)	C[6](C[6]C[6,6]2)(C[6]C[6]C)(C[6]C[6]){1|H<1>,2|C<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2){1|O<2>,3|C<2>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])(COO){1|H<1>,3|C<3>}	122.5900	0.000	1	122.5900	0.000	1	122.5900	0.000	1	122.5900	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,3|C<3>}	121.2100	0.000	1	121.2100	0.000	1	121.2100	0.000	1	123.5465	10.918	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-2:	N[5,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]N[5,6]C[6])(C[6]C[6]Br)(N[6]C[6])	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(Br)	C[6](C[6]N[5,6]C[6])(C[6]C[6]Br)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]N[6])(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(Br){1|Zn<4>,1|N<3>,2|C<3>}	125.8830	0.000	1	125.8830	0.000	1	125.8830	0.000	1	123.5465	10.918	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Ag)	C[6](C[6]C[6]N[6])2(N[6]C[6]){2|Ag<5>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Ag){1|N<3>,2|H<1>,4|C<3>}	124.7930	0.000	1	124.7930	0.000	1	124.4207	0.169	3	125.1902	1.345	5	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu)	C[6](C[6]C[6]N[6])2(N[6]C[6]){2|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu){1|N<3>,2|H<1>,4|C<3>}	124.2345	0.360	2	124.2345	0.130	2	124.4207	0.169	3	125.1902	1.345	5	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6,6a])	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])2(N[6]C[6,6a]){2|Cu<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])2{1|H<1>,1|N<3>,5|C<3>}	126.3445	0.774	2	126.3445	0.600	2	126.3445	0.600	2	125.1902	1.345	5	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(N[6]N[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(N[6]N[6]){2|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){2|C<3>,2|N<3>}	123.6557	1.320	3	123.6557	1.744	3	123.6557	1.744	3	123.6557	1.744	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:4:3:	3:2:1:	C[6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]O[6]H)(O[6]C[6])	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[6]O[6])(O[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]O[6]H)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[6]O[6])(O[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	124.4740	0.000	1	124.4740	0.000	1	124.4740	0.000	1	124.4740	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Ru)(C[6]N[6]2)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(N[6]C[6])	C[6](N[6]C[6]Ru)(C[6]N[6]2)(C[6]N[6]H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(N[6]C[6]){1|H<1>,1|N<2>,3|C<3>}	124.8620	0.000	1	124.8620	0.000	1	124.8620	0.000	1	124.8620	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]O[6]O)2	C[6](C[6]C[6]2)(O[6]C[6])(O)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]O[6]O)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|O<1>,2|O<2>}	120.5271	0.719	8	120.5271	0.517	8	120.5271	0.517	8	120.3517	0.412	14	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:N[6]-3:N[6]-3:	C[6](C[6]N[6]2)(C[6]O[6]O)2	C[6](C[6]C[6]2)(O[6]C[6])(O)	C[6](C[6]C[6]2)(N[6]C[6]H)2	C[6](C[6]N[6]2)(C[6]O[6]O)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|N<3>,2|C<3>,2|O<1>,2|O<2>}	120.1178	0.481	6	120.1178	0.232	6	120.1178	0.232	6	120.3517	0.412	14	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-2:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(N[6]S[6])	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|S<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6])(N[6]S[6]){1|Br<1>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	123.4545	0.385	2	123.4545	0.149	2	123.4545	0.149	2	121.6720	9.606	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:2:	3:3:1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]N[6,6]C[6])(N[6]C[6,6a])(N[6]C[6])	C[6](C[6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]N[6,6]C[6])(N[6]C[6,6a])(N[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	118.1070	0.000	1	118.1070	0.000	1	118.1070	0.000	1	121.6720	9.606	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|H<1>,1|N<2>,3|C<3>}	125.0280	0.000	1	125.0280	0.000	1	125.0280	0.000	1	125.0280	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:N[6]-2:	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6])2	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]N[6])(N[6]C[6])2{1|N<3>,2|H<1>,4|C<3>}	123.5210	0.000	1	123.5210	0.000	1	123.5210	0.000	1	123.5210	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:N[6]-3:	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(N[6]C[6]Co)	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(N[6]C[6]Co){1|H<1>,5|C<3>}	122.9250	0.000	1	122.9250	0.000	1	123.3720	0.400	2	123.3720	0.400	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:N[6]-3:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(N[6]C[6]Zn)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(N[6]C[6]Zn){1|H<1>,5|C<3>}	123.8190	0.000	1	123.8190	0.000	1	123.3720	0.400	2	123.3720	0.400	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]H)(N[6]N[6])	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]N[6]H)(N[6]N[6]){2|C<4>,2|H<1>,3|C<3>}	123.3340	0.000	1	123.3340	0.000	1	123.3340	0.000	1	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]){2|Ag<5>,1|N<3>,2|H<1>,4|C<3>}	121.8900	0.000	1	121.8900	0.000	1	120.3104	1.611	5	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6,6a])	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6,6a]){2|Cu<4>,1|H<1>,1|N<3>,5|C<3>}	119.2530	1.000	2	119.2530	1.000	2	120.3104	1.611	5	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]){2|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	120.5780	0.755	2	120.5780	0.570	2	120.3104	1.611	5	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-2:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]){1|H<1>,5|C<3>}	124.5310	0.000	1	124.5310	0.000	1	124.1547	0.127	3	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-2:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]){3|C<3>,3|H<1>}	123.9665	0.204	2	123.9665	0.042	2	124.1547	0.127	3	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]C[6])	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<5>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]C[6]){1|H<1>,4|C<3>}	126.4240	0.000	1	126.4240	0.000	1	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6,6a]Pu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Pu)(N[6]C[6,6])	C[6](N[6]C[6,6a]Pu)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Pu<11>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pu)(N[6]C[6,6]){1|C<4>,1|H<1>,3|C<3>}	120.6962	0.410	4	120.6962	0.168	4	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Ag)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ag)(N[6]N[6])	C[6](N[6]C[6]Ag)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Ag)(N[6]N[6]){1|Ag<6>,1|H<1>,3|C<3>}	120.2680	0.488	2	120.2680	0.238	2	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(N[6]C[6])	C[6](N[6]C[6]Cd)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	121.8785	0.534	2	121.8130	0.122	4	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Cd)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(N[6]C[6])	C[6](N[6]C[6]Cd)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	121.7475	0.251	2	121.8130	0.122	4	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6])	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	124.8770	0.000	1	122.4026	0.742	32	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6])	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	122.1107	0.389	12	122.4026	0.742	32	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6])	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	121.2950	0.000	1	122.4026	0.742	32	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6])	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	122.8453	0.679	6	122.4026	0.742	32	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6])	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]C[6]){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	122.3592	0.928	12	122.4026	0.742	32	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	122.4240	0.000	1	122.2205	0.649	15	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	122.2207	1.191	3	122.2205	0.649	15	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	120.6290	0.000	1	122.2205	0.649	15	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	122.3592	0.622	10	122.2205	0.649	15	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]N[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]N[6]){1|H<1>,4|C<3>}	121.8880	0.000	1	121.8880	0.000	1	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]C[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]C[6]){1|H<1>,4|C<3>}	122.0703	0.664	3	122.0703	0.441	3	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]N[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]N[6]){1|H<1>,2|C<4>,3|C<3>}	121.1810	0.000	1	122.5045	0.949	4	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]N[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]N[6]){1|Cu<4>,1|H<1>,3|C<3>}	122.8600	0.000	1	122.5045	0.949	4	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]N[6])	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(N[6]N[6]){1|H<1>,2|C<4>,3|C<3>}	122.9885	0.708	2	122.5045	0.949	4	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Eu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(N[6]C[6])	C[6](N[6]C[6]Eu)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	120.3885	0.114	2	120.4758	0.088	4	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Eu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(N[6]C[6])	C[6](N[6]C[6]Eu)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	120.5630	0.470	2	120.4758	0.088	4	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Eu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Eu)(N[6]C[6])	C[6](N[6]C[6]Eu)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Eu)(N[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	120.7545	0.233	2	120.7545	0.054	2	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	125.7353	1.005	3	124.1056	2.129	10	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	123.6528	0.803	6	124.1056	2.129	10	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]C[6]){1|H<1>,2|C<4>,3|C<3>}	121.9330	0.000	1	124.1056	2.129	10	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]S[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]S[6]){1|H<1>,1|N<2>,3|C<3>}	123.8295	0.186	2	123.8295	0.035	2	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Fe)(N[6]N[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Fe)(N[6]N[6]){1|C<4>,1|H<1>,4|C<3>}	124.0703	0.314	3	124.0703	0.099	3	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Ir)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(N[6]C[6])	C[6](N[6]C[6]Ir)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	122.3540	0.195	2	122.3540	0.038	2	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Li)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(N[6]C[6])	C[6](N[6]C[6]Li)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	120.7480	0.000	1	120.7480	0.000	1	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6])	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	122.0048	0.505	6	122.1998	0.674	19	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6])	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	121.5610	0.000	1	122.1998	0.674	19	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6])	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	122.4566	1.141	8	122.1998	0.674	19	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6])	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	122.1382	0.438	4	122.1998	0.674	19	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Mn)(N[6]C[6])	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Mn)(N[6]C[6]){1|H<1>,4|C<3>}	121.0650	0.021	2	121.0650	0.000	2	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Mo)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Mo)(N[6]C[6])	C[6](N[6]C[6]Mo)(C[6]C[6]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Mo)(N[6]C[6]){1|H<1>,4|C<3>}	123.2300	0.000	1	123.2300	0.000	1	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6])	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	125.0945	0.675	2	122.9533	0.771	27	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6])	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	121.7030	0.000	1	122.9533	0.771	27	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6])	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	122.8269	0.607	24	122.9533	0.771	27	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(N[6]C[6])	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(N[6]C[6]){1|H<1>,4|C<3>}	122.2578	0.489	4	122.2578	0.239	4	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(N[6]C[6])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	121.9030	0.000	1	121.9030	0.000	1	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Pd)(N[6]C[6])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pd)(N[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	128.1285	0.866	4	128.1285	0.751	4	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Pd)(N[6]N[6])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pd)(N[6]N[6]){1|C<4>,1|H<1>,4|C<3>}	122.7970	0.133	3	123.2557	0.317	7	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Pd)(N[6]N[6])	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pd)(N[6]N[6]){1|H<1>,2|C<4>,3|C<3>}	123.5998	0.504	4	123.2557	0.317	7	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(N[6]C[6])	C[6](N[6]C[6]Pt)(C[6]C[6]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(N[6]C[6]){1|C<4>,1|H<1>,3|C<3>}	122.9340	0.000	1	123.4763	0.920	3	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(N[6]C[6])	C[6](N[6]C[6]Pt)(C[6]C[6]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(N[6]C[6]){1|H<1>,4|C<3>}	123.7475	1.183	2	123.4763	0.920	3	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Pt)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(N[6]N[6])	C[6](N[6]C[6]Pt)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(N[6]N[6]){1|H<1>,2|C<4>,3|C<3>}	123.3020	0.000	1	123.3020	0.000	1	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6])	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6]){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	123.0797	0.846	6	122.6580	1.211	8	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6])	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	121.3930	0.795	2	122.6580	1.211	8	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Re)(N[6]N[6])	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Re)(N[6]N[6]){1|H<1>,3|C<3>}	121.7650	0.000	1	121.7650	0.000	1	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6]){3|C<3>,3|H<1>}	127.0385	1.047	2	123.3052	2.074	18	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	122.3705	0.016	2	123.3052	2.074	18	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	122.6830	0.226	2	123.3052	2.074	18	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	123.0457	0.326	10	123.3052	2.074	18	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6])	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(N[6]C[6]){2|H<1>,4|C<3>}	122.4260	0.738	2	123.3052	2.074	18	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Sm)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(N[6]C[6])	C[6](N[6]C[6]Sm)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<13>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	120.6535	0.698	2	120.6535	0.487	2	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(N[6]C[6])	C[6](N[6]C[6]Zn)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(N[6]C[6]){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	121.4120	0.000	1	121.7210	0.087	3	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6](N[6]C[6]Zn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(N[6]C[6])	C[6](N[6]C[6]Zn)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(N[6]C[6]){1|H<1>,1|N<2>,4|C<3>}	121.8755	0.177	2	121.7210	0.087	3	122.6751	2.141	191	122.6415	2.253	200	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2{1|C<4>,2|O<1>,6|C<3>}	117.8195	0.022	2	117.8195	0.000	2	117.8195	0.000	2	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<3>,2|N<3>,4|H<1>}	121.4312	0.910	10	121.4312	0.828	10	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	122.8492	0.259	4	122.8492	0.067	4	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|O<1>,4|C<4>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	123.4074	0.469	10	123.4074	0.220	10	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]O[6]O)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|O<1>,2|O<2>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]O[6]O)2{1|C<4>,2|C<3>,2|H<1>}	122.8328	0.653	8	122.8328	0.427	8	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Al<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.6773	1.120	4	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.6038	0.857	4	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.4018	1.107	465	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.0281	1.060	8	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	120.5080	1.079	2	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.7005	1.559	2	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.7037	0.833	32	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.5126	0.855	8	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.0847	2.303	6	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.4340	0.939	24	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.7315	1.276	4	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.8396	0.783	103	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.7007	0.628	34	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|W<6>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.4553	0.498	4	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	122.1165	0.996	4	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.6864	0.766	8	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Mo<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.8285	0.730	4	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.5553	0.659	8	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.3203	0.664	4	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.1842	1.702	36	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.3934	1.558	14	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	120.5780	2.083	4	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.8473	1.160	20	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	122.0528	0.897	18	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.2833	1.647	8	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Rh<9>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.6735	0.491	2	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.3982	0.885	6	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.2382	1.685	14	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.7060	2.447	2	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.2500	0.212	2	121.4822	1.236	854	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.4209	1.002	8	120.6392	1.645	22	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Cu<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.8158	0.621	4	120.6392	1.645	22	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.2520	1.124	2	120.6392	1.645	22	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ni<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.8538	1.933	4	120.6392	1.645	22	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.8995	3.376	2	120.6392	1.645	22	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.8575	1.121	2	120.6392	1.645	22	121.5003	1.296	908	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]O)(C[6]N[6]2)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(C[6]N[6]2){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	119.6110	0.000	1	119.6110	0.000	1	120.4823	0.579	3	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2	C[6](C[6]C[6]H)2(C[6]N[6]2){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|C<4>,2|C<3>,6|H<1>}	120.8220	0.000	1	120.8220	0.000	1	120.4823	0.579	3	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[6]2)(N[6]C[6]H)2	C[6](C[6]C[6]H)2(C[6]N[6]2){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|C<4>,2|C<3>,6|H<1>}	121.0140	0.000	1	121.0140	0.000	1	120.4823	0.579	3	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Au)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Au)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Au<4>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6,6a]Au)(C[6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	125.2780	0.000	1	125.2780	0.000	1	123.6057	0.863	6	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3765	0.496	4	123.3765	0.246	4	123.6057	0.863	6	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H){2|Pt<4>,1|N<3>,4|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	122.8500	0.000	1	122.8500	0.000	1	123.6057	0.863	6	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(N[6]C[6]Os)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(N[6]C[6]Os)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(N[6]C[6]Os){1|C<4>,2|H<1>,3|C<3>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H){1|Os<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(N[6]C[6]Os){1|C<4>,2|H<1>,3|C<3>}	124.5405	0.766	6	124.5405	0.587	6	124.5405	0.587	6	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(N[6]C[6]Pt)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(N[6]C[6]Pt){1|C<4>,2|H<1>,3|C<3>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H){1|Pt<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	124.5567	0.499	4	124.5567	0.249	4	124.5567	0.249	4	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a,6]H)(C[6]C[6]N[6])(N[6]C[6]Zn)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]N[6])(N[6]C[6]Zn){2|H<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	122.0583	0.322	4	122.0583	0.104	4	122.0583	0.104	4	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(N[6]C[6]Pt)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(N[6]C[6]Pt)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(N[6]C[6]Pt){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(N[6]C[6]Pt){2|H<1>,4|C<3>}	125.1513	1.206	4	125.1513	1.455	4	125.1513	1.455	4	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(N[6]C[6]Co)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(N[6]C[6]Co){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	125.0505	1.799	4	125.0505	3.238	4	125.0505	3.238	4	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){1|B<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){2|H<1>,4|C<3>}	124.8120	0.000	1	123.6028	1.100	30	123.2236	1.219	44	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){2|H<1>,4|C<3>}	120.9740	0.000	1	123.6028	1.100	30	123.2236	1.219	44	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<5>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	126.3585	0.767	2	123.6028	1.100	30	123.2236	1.219	44	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<5>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){2|H<1>,4|C<3>}	124.6635	0.354	2	123.6028	1.100	30	123.2236	1.219	44	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<6>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	123.3638	0.438	20	123.6028	1.100	30	123.2236	1.219	44	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<8>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	123.2445	0.152	4	123.6028	1.100	30	123.2236	1.219	44	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|W<6>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){3|C<3>,3|H<1>}	121.5510	0.000	1	122.6861	0.521	8	123.2236	1.219	44	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|W<6>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){1|H<1>,5|C<3>}	122.7374	0.462	5	122.6861	0.521	8	123.2236	1.219	44	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|W<8>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){3|C<3>,3|H<1>}	123.1255	1.051	2	122.6861	0.521	8	123.2236	1.219	44	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|H<1>,1|N<3>,1|W<6>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){3|C<3>,3|H<1>}	122.0442	0.615	6	122.0442	0.378	6	123.2236	1.219	44	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P[6]-3:	C[6](C[6]C[6]P[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(P[6]C[6]W)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(N[6]C[6]W){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|P<3>,1|W<6>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(P[6]C[6]W){1|H<1>,5|C<3>}	121.4230	1.100	4	121.4230	1.210	4	121.4230	1.210	4	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:P[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(P[6]C[6]W)	C[6](C[6]C[6a]C[6])(C[6]C[6]P[6])(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(P[6]C[6]W){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]P[6])(H){1|H<1>,1|N<3>,1|W<6>,4|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(N[6]C[6]W){3|C<3>,3|H<1>}	122.9905	1.745	4	122.9905	3.046	4	122.9905	3.046	4	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Ag)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Ag){1|N<3>,2|H<1>,4|C<3>}	124.4380	0.000	1	124.4380	0.000	1	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(N[6]C[6]Co)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(N[6]C[6]Co){2|H<1>,4|C<3>}	124.9828	2.735	4	124.9828	7.479	4	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Co)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Co){1|Co<6>,1|N<3>,2|H<1>,4|C<3>}	122.2480	0.000	1	122.2480	0.000	1	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Cr)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Cr){1|Cr<6>,1|H<1>,1|N<3>,5|C<3>}	124.7674	0.533	8	124.7674	0.284	8	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu){1|N<3>,2|H<1>,4|C<3>}	125.0675	0.078	2	124.7637	0.280	3	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	124.1560	0.000	1	124.7637	0.280	3	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]H){2|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	120.2290	0.000	1	120.2290	0.000	1	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]C){3|C<3>,3|H<1>}	129.3522	0.517	4	129.3522	0.268	4	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(N[6]C[6]H){3|C<3>,3|H<1>}	126.2750	0.000	1	126.2750	0.000	1	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Ir)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Ir){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	123.6890	0.653	2	123.6890	0.427	2	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Mn)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Mn){1|Mn<6>,1|N<3>,2|H<1>,4|C<3>}	122.7220	0.000	1	122.7220	0.000	1	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Ni)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Ni){1|Ni<6>,1|H<1>,1|N<3>,5|C<3>}	124.5945	0.743	2	124.5945	0.552	2	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O){3|C<3>,3|H<1>}	127.4642	0.329	9	127.3352	0.263	10	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(N[6]C[6]O){3|C<3>,3|H<1>}	126.1740	0.000	1	127.3352	0.263	10	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Re)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Re){1|Re<6>,1|H<1>,1|N<3>,5|C<3>}	122.8920	0.000	1	122.8920	0.000	1	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Rh)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Rh){1|H<1>,7|C<3>}	125.3275	0.928	4	125.3275	0.861	4	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Ru)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Ru){1|Ru<9>,1|N<3>,2|H<1>,4|C<3>}	124.6690	0.614	2	124.6690	0.377	2	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]N[6]Ru)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]N[6]Ru){1|H<1>,6|C<3>}	125.7320	0.000	1	125.7320	0.000	1	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]N[6])(N[6]C[6]Zn)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]N[6])(N[6]C[6]Zn){2|H<1>,4|C<3>}	124.2198	0.385	4	124.2198	0.148	4	125.4350	4.148	50	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[3x6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[3x6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H){1|Mn<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	121.5700	1.046	3	121.9184	0.780	5	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[3x6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[3x6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	122.4410	0.147	2	121.9184	0.780	5	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[3x6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[3x6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	121.7660	0.000	1	121.7660	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cd)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6]C[6]N[6])(H){1|Cd<5>,1|C<4>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	121.7760	0.000	1	121.7760	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cu)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Cu<3>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H){2|H<1>,3|C<3>}	121.3640	0.000	1	121.7655	0.322	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cu)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Cu<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H){2|H<1>,3|C<3>}	122.1670	0.000	1	121.7655	0.322	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Pd<3>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	122.1780	0.311	2	121.9540	0.099	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	121.7300	0.018	2	121.9540	0.099	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Re<5>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	121.5390	0.000	1	121.5390	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<6>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]C){3|C<3>,3|H<1>}	122.7870	0.000	1	122.7870	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	121.6240	0.000	1	121.4090	0.046	3	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	121.3015	0.153	2	121.4090	0.046	3	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]N[6]H){2|H<1>,3|C<3>}	121.9440	0.386	2	121.9440	0.149	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	122.0840	1.078	2	122.1902	1.627	35	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	121.1840	0.576	2	122.1902	1.627	35	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	122.0430	0.362	4	122.1902	1.627	35	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|H<1>,5|C<3>}	122.2205	0.541	4	122.1902	1.627	35	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){2|H<1>,4|C<3>}	122.5925	1.961	2	122.1902	1.627	35	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	122.3541	1.771	15	122.1902	1.627	35	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){2|H<1>,4|C<3>}	121.4255	0.220	2	122.1902	1.627	35	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	122.4300	0.393	4	122.1902	1.627	35	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]N[6]H){2|H<1>,3|C<3>}	120.1275	0.168	2	120.1275	0.028	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ag<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	121.9725	0.225	4	121.9725	0.050	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	126.0790	0.129	2	126.0790	0.017	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){2|H<1>,4|C<3>}	125.3427	0.534	9	124.7858	1.281	25	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){2|H<1>,4|C<3>}	122.8120	0.506	4	124.7858	1.281	25	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	126.4185	0.323	2	124.7858	1.281	25	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|H<1>,5|C<3>}	125.6480	0.027	2	124.7858	1.281	25	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	124.8435	0.256	4	124.7858	1.281	25	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){2|H<1>,4|C<3>}	124.3085	0.535	2	124.7858	1.281	25	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0940	0.696	2	124.7858	1.281	25	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Al<5>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	125.8820	0.000	1	125.3807	0.191	3	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	125.1300	0.064	2	125.3807	0.191	3	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Au<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H){3|C<3>,3|H<1>}	127.1570	0.000	1	125.7050	1.436	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H){1|H<1>,5|C<3>}	125.6935	0.395	2	125.7050	1.436	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Au<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H){2|H<1>,4|C<3>}	124.2760	0.000	1	125.7050	1.436	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Au<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H){3|C<3>,3|H<1>}	128.6840	0.774	2	128.6840	0.598	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ba)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ba)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ba)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ba<12>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ba)(C[6]C[6]H){3|C<3>,3|H<1>}	122.1050	0.270	2	122.1050	0.073	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H){3|C<3>,3|H<1>}	121.3815	0.121	2	121.9604	0.299	8	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H){3|C<3>,3|H<1>}	121.9830	0.761	2	121.9604	0.299	8	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H){3|C<3>,3|H<1>}	122.4210	0.533	2	121.9604	0.299	8	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H){2|H<1>,4|C<3>}	122.0560	0.318	2	121.9604	0.299	8	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	122.4302	0.407	5	122.5371	0.446	100	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,5|C<3>}	120.5045	0.951	2	122.5371	0.446	100	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2980	0.832	4	122.5371	0.446	100	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,5|C<3>}	122.9418	0.475	13	122.5371	0.446	100	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	122.8702	0.163	4	122.5371	0.446	100	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,5|C<3>}	122.4080	0.327	8	122.5371	0.446	100	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){2|H<1>,4|C<3>}	122.0083	0.143	4	122.5371	0.446	100	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	122.4832	0.614	56	122.5371	0.446	100	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	122.8203	0.651	4	122.5371	0.446	100	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3495	0.484	2	122.7260	0.465	23	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	122.8343	0.452	11	122.7260	0.465	23	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){2|H<1>,4|C<3>}	122.0560	0.547	2	122.7260	0.465	23	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	122.5889	0.903	8	122.7260	0.465	23	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	125.6947	1.261	8	125.6947	1.591	8	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	124.2285	0.862	34	124.2285	0.744	34	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	127.2779	1.237	7	127.2779	1.529	7	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	121.7350	0.746	3	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	124.7022	1.382	4	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	126.8615	2.031	4	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	121.9370	0.086	2	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	122.6850	0.021	2	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	128.4840	0.283	2	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	123.5385	0.190	2	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	125.5450	0.000	1	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	126.1580	2.565	6	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	126.0771	1.638	99	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,5|C<3>}	124.9265	0.394	2	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	125.5980	0.724	2	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3435	0.230	2	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	124.1300	0.000	1	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0569	0.690	16	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,5|C<3>}	124.0000	0.735	58	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	124.1819	0.892	99	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8505	1.244	258	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	124.7075	0.802	32	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	125.1825	0.170	2	124.3988	2.266	597	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	127.8455	0.738	4	127.8455	0.545	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	124.5577	0.505	4	125.4468	2.460	40	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	125.6163	1.638	34	125.4468	2.460	40	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	124.3425	0.159	2	125.4468	2.460	40	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	126.7190	0.000	1	125.4196	2.403	55	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	128.2830	0.371	2	125.4196	2.403	55	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	125.2845	1.473	52	125.4196	2.403	55	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]N[6]H){2|H<1>,3|C<3>}	125.6008	1.384	6	125.6008	1.916	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Cr<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	125.7740	0.443	2	125.7740	0.196	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	122.2360	0.000	1	124.9456	2.162	91	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,4|C<3>}	123.2595	0.042	2	124.9456	2.162	91	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	126.9840	0.363	24	124.9456	2.162	91	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	127.0160	0.218	2	124.9456	2.162	91	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,4|C<3>}	124.3040	0.148	2	124.9456	2.162	91	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,5|C<3>}	123.5664	0.341	5	124.9456	2.162	91	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,4|C<3>}	124.5989	0.766	21	124.9456	2.162	91	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9383	0.668	30	124.9456	2.162	91	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,4|C<3>}	124.0805	0.238	2	124.9456	2.162	91	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	125.1580	0.218	2	124.9456	2.162	91	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cr<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	125.1923	2.520	3	125.1923	6.350	3	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Cu<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	126.4625	0.513	2	125.4535	1.446	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Cu<6>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	124.4445	0.042	2	125.4535	1.446	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Cu<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	124.4690	0.705	4	124.4690	0.497	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	122.7280	0.701	2	122.8113	0.176	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	122.8945	0.094	2	122.8113	0.176	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	124.7123	0.553	3	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	122.5187	1.002	6	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	125.6810	0.000	1	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	124.3575	1.063	2	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9705	1.244	2	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	124.2900	0.154	2	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	123.0472	1.058	30	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	121.9437	0.748	13	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	123.2542	0.733	4	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	126.8098	0.532	34	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2155	0.053	4	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	123.5580	1.059	3	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4176	0.345	10	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	122.6610	0.000	1	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	122.6666	0.401	13	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3135	1.377	61	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8809	0.773	16	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	124.2794	0.914	18	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	124.2932	0.549	33	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8741	0.702	235	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	121.2415	0.954	2	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	123.5992	0.513	27	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4054	0.911	40	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	124.7245	0.421	2	123.8347	1.469	562	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	126.3625	0.967	4	126.3625	0.934	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	122.3093	0.855	12	124.3958	3.189	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	120.8000	0.000	1	124.3958	3.189	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	126.1476	1.162	18	124.3958	3.189	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	124.2699	0.885	23	124.3958	3.189	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H){2|H<1>,3|C<3>}	126.3660	0.435	4	126.3660	0.190	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<10>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){3|C<3>,3|H<1>}	120.9490	0.781	2	121.8655	1.050	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){3|C<3>,3|H<1>}	120.8260	0.477	2	121.8655	1.050	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<10>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){2|H<1>,4|C<3>}	122.0425	0.080	2	121.8655	1.050	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){3|C<3>,3|H<1>}	122.4755	0.047	2	121.8655	1.050	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){2|H<1>,4|C<3>}	121.5980	0.247	2	121.8655	1.050	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){3|C<3>,3|H<1>}	122.2246	1.260	8	121.8655	1.050	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	127.9603	1.029	4	127.9603	1.059	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	127.2670	0.178	2	127.2670	0.032	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	127.2285	0.148	2	127.2285	0.022	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	123.0603	0.741	3	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2143	0.233	3	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	125.6451	1.726	17	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	121.8635	0.442	8	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	124.2907	0.290	3	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1075	0.470	2	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	122.6710	0.274	2	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	122.7506	2.331	8	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	125.3090	0.000	1	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	125.5317	1.968	6	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	127.5654	1.113	39	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	123.8504	0.977	12	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0940	0.129	2	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	125.6390	0.000	1	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1258	0.632	6	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	124.3723	0.611	15	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,5|C<3>}	124.8353	0.487	34	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	124.6326	0.750	38	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	124.2470	1.327	126	124.7166	2.833	326	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	126.8310	0.139	4	126.8310	0.019	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|S<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	127.0965	1.179	2	127.0965	1.389	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	127.5889	0.407	28	127.4254	0.574	30	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	125.1370	0.970	2	127.4254	0.574	30	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]N[6]H){2|H<1>,3|C<3>}	127.7195	0.665	4	127.7195	0.443	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1040	0.884	2	122.5111	0.673	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	121.5250	0.011	2	122.5111	0.673	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){1|H<1>,5|C<3>}	122.8962	1.089	4	122.5111	0.673	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	122.0865	0.368	2	122.5111	0.673	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){1|H<1>,5|C<3>}	122.5890	0.804	6	122.5111	0.673	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){2|H<1>,4|C<3>}	122.3250	0.141	2	122.5111	0.673	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Hg<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	121.4758	0.369	4	121.7714	0.598	10	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Hg<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	121.9685	0.937	6	121.7714	0.598	10	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<5>,2|H<1>,3|C<3>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>,4|B<6>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4260	0.000	1	123.4260	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Ir<6>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	127.4830	0.093	2	127.4830	0.009	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	123.9460	0.632	2	123.9460	0.400	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	124.1980	0.000	1	123.7534	0.524	19	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	124.6525	0.861	2	123.7534	0.524	19	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	123.6132	0.662	16	123.7534	0.524	19	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	121.4360	0.000	1	124.0170	3.713	129	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	125.8469	3.451	20	124.0170	3.713	129	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Ir<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1785	3.647	2	124.0170	3.713	129	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4230	0.000	1	124.0170	3.713	129	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	124.5470	0.449	3	124.0170	3.713	129	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	123.5751	0.521	9	124.0170	3.713	129	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	123.5132	0.721	21	124.0170	3.713	129	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4130	1.249	40	124.0170	3.713	129	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1998	1.469	30	124.0170	3.713	129	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9665	0.579	2	124.0170	3.713	129	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]N[6]H){2|H<1>,3|C<3>}	122.7940	0.000	1	122.7940	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	125.5221	3.274	9	124.5665	6.094	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	123.5640	0.426	8	124.5665	6.094	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9860	0.000	1	124.5665	6.094	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1620	0.308	2	123.3055	0.481	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){3|C<3>,3|H<1>}	122.8325	0.022	2	123.3055	0.481	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){2|H<1>,4|C<3>}	122.9220	0.314	2	123.3055	0.481	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mg<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2370	0.542	2	123.1460	0.275	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mg<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){1|H<1>,5|C<3>}	122.8570	0.724	2	123.1460	0.275	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mg<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){1|H<1>,5|C<3>}	123.3440	0.543	2	123.1460	0.275	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mg<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){3|C<3>,3|H<1>}	124.8930	0.498	2	124.5203	0.306	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mg<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1475	0.340	2	124.5203	0.306	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	123.5490	0.096	2	123.5490	0.009	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.6245	1.174	4	123.2049	0.909	340	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.3097	0.384	6	123.2049	0.909	340	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	122.2167	0.703	10	123.2049	0.909	340	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.7212	1.145	27	123.2049	0.909	340	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0000	0.359	2	123.2049	0.909	340	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,5|C<3>}	123.7010	0.081	2	123.2049	0.909	340	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	123.2673	0.421	6	123.2049	0.909	340	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0652	1.662	12	123.2049	0.909	340	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,5|C<3>}	123.2893	0.636	18	123.2049	0.909	340	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	123.5271	0.906	28	123.2049	0.909	340	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0412	0.838	213	123.2049	0.909	340	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2633	1.060	12	123.2049	0.909	340	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.8800	2.299	4	124.8800	5.283	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4780	0.208	2	124.1037	1.731	22	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	122.1580	1.099	2	124.1037	1.731	22	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.4086	1.254	17	124.1037	1.731	22	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0640	0.000	1	124.1037	1.731	22	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	121.2170	0.000	1	124.2918	2.398	70	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	126.8969	0.263	8	124.2918	2.398	70	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	126.5192	0.659	4	124.2918	2.398	70	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|H<1>,5|C<3>}	122.8480	0.000	1	124.2918	2.398	70	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){2|H<1>,4|C<3>}	125.5309	0.517	8	124.2918	2.398	70	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4248	0.789	36	124.2918	2.398	70	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|H<1>,5|C<3>}	123.4855	0.262	2	124.2918	2.398	70	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){2|H<1>,4|C<3>}	125.2600	0.467	4	124.2918	2.398	70	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0190	0.840	4	124.2918	2.398	70	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	123.7405	0.104	2	124.2918	2.398	70	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mo<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	121.6880	0.000	1	124.1437	4.526	3	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mo<7>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	125.3715	0.081	2	124.1437	4.526	3	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ni<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	124.3115	0.789	4	124.3115	0.623	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	121.1250	0.000	1	121.1250	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	124.8987	1.286	7	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	125.4067	0.347	3	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	127.0330	0.000	1	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	126.0850	0.405	4	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	122.6937	1.290	4	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0815	0.175	2	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	124.5643	1.286	4	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	125.4875	0.276	2	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	126.7743	0.379	6	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	125.6562	0.999	54	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	124.3335	0.278	4	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	123.4535	0.426	2	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	124.4468	0.681	30	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	123.0910	0.252	2	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8709	0.644	8	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4389	0.833	11	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,5|C<3>}	123.5391	1.040	18	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	123.7624	0.740	57	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2429	1.015	306	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9853	0.251	3	123.7712	1.657	528	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	124.9373	0.541	7	124.9373	0.293	7	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ni<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	125.8390	0.983	14	125.8390	0.967	14	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	124.1607	0.862	3	124.7712	2.573	11	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	127.8725	0.028	2	124.7712	2.573	11	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,5|C<3>}	124.3355	0.110	2	124.7712	2.573	11	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	123.8963	0.379	4	124.7712	2.573	11	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	127.7752	0.925	16	124.3978	2.426	204	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,5|C<3>}	123.7540	0.694	2	124.3978	2.426	204	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	123.9523	0.946	16	124.3978	2.426	204	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1222	1.263	168	124.3978	2.426	204	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	124.7390	0.076	2	124.3978	2.426	204	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	127.0913	1.182	4	127.0913	1.397	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Os<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	128.1235	0.269	2	128.1235	0.073	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	124.0763	0.872	4	124.0763	0.760	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,3|C<3>}	124.6180	0.000	1	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	121.5307	0.584	3	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2010	0.776	2	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	122.9080	0.000	1	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	121.6530	0.383	2	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	127.5412	0.645	24	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	124.2670	0.000	1	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	124.8560	0.268	4	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	124.6243	1.002	4	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,5|C<3>}	124.4640	0.474	2	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	124.0220	0.658	20	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	123.7427	1.090	129	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	125.2160	0.246	2	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0595	0.467	2	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	122.7933	1.131	4	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1905	0.329	4	124.1838	2.609	205	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	127.6690	0.868	2	127.6690	0.754	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Pt<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	128.1570	0.037	2	128.1570	0.001	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	127.7395	0.120	2	127.7395	0.014	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.6820	0.000	1	123.6820	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	128.0820	0.282	4	124.0604	4.230	43	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,4|C<3>}	123.4390	0.000	1	124.0604	4.230	43	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	123.9430	0.000	1	124.0604	4.230	43	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	119.8260	0.000	1	124.0604	4.230	43	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	127.4250	0.259	3	124.0604	4.230	43	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	123.8071	1.132	23	124.0604	4.230	43	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	122.5225	0.880	10	124.0604	4.230	43	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	128.1512	0.397	6	128.1512	0.158	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	122.8470	0.000	1	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4520	0.000	1	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2940	0.000	1	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	122.1123	0.601	4	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	122.0441	0.923	7	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	127.9660	1.179	99	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	124.0840	4.004	2	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9157	1.047	41	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.6019	0.698	20	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	124.2475	0.921	64	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	123.8989	1.091	100	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0936	0.998	144	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	122.7300	0.559	2	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1455	0.179	2	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	121.9115	1.009	2	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2699	0.796	52	124.6099	3.712	542	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]I)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|I<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]I)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	127.8375	1.336	2	127.8375	1.784	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	127.5708	0.935	4	127.0088	2.234	5	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	124.7610	0.000	1	127.0088	2.234	5	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	127.8533	1.869	6	127.8533	3.492	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	127.9865	0.302	4	127.4677	2.428	65	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	127.8874	0.716	55	127.4677	2.428	65	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	121.3945	0.419	2	127.4677	2.428	65	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	124.2138	0.377	4	127.4677	2.428	65	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	122.0050	0.000	1	122.4135	0.288	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	122.0840	0.000	1	122.4135	0.288	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	122.7825	0.564	2	122.4135	0.288	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1190	0.000	1	122.8717	0.077	9	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	122.8407	0.280	8	122.8717	0.077	9	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|H<1>,4|C<3>}	124.4530	0.000	1	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	121.2400	0.000	1	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	122.2730	0.402	2	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|P<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	120.5070	0.000	1	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	122.7614	1.688	11	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	126.5085	0.648	2	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Re<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2565	1.258	2	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cl<1>,1|Re<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3890	0.840	3	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8688	2.526	8	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3496	0.572	7	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3072	0.608	13	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,5|C<3>}	123.5028	0.868	9	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	123.4057	0.817	11	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4064	1.291	182	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	124.8860	0.687	2	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	121.7440	0.000	1	123.3933	1.755	256	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	121.2950	0.000	1	121.2950	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	120.8463	0.700	3	120.8463	0.490	3	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8840	0.000	1	123.8840	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0457	3.205	7	123.1796	5.570	13	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	123.3358	0.992	6	123.1796	5.570	13	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	123.8970	1.385	2	123.8970	1.917	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	127.6000	0.392	2	124.3755	2.193	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	127.4050	0.379	4	124.3755	2.193	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	127.8360	0.593	2	124.3755	2.193	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	123.7095	0.047	2	124.3755	2.193	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8825	0.380	2	124.3755	2.193	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	123.7982	0.252	4	124.3755	2.193	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	124.4533	0.435	6	124.3755	2.193	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|H<1>,5|C<3>}	123.0940	0.000	1	124.3755	2.193	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	123.6345	0.920	2	124.3755	2.193	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3791	0.889	7	124.3755	2.193	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	124.3847	1.100	4	124.3755	2.193	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	123.7297	0.447	18	124.3755	2.193	54	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Rh<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	121.3890	0.000	1	121.3890	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	127.1732	0.446	8	127.1732	0.199	8	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	124.2295	0.241	2	124.2295	0.058	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	123.0230	0.000	1	123.7910	0.344	39	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	123.8112	0.580	38	123.7910	0.344	39	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	126.0083	1.792	7	126.0083	3.211	7	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,3|C<3>}	123.5030	0.389	2	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	123.6110	0.000	1	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	124.7834	1.737	5	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0145	0.439	2	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	121.3340	0.827	4	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	126.8285	1.162	42	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Ru<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	123.6535	1.251	2	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1815	0.810	2	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	123.2075	0.346	2	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8307	0.796	3	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	123.7433	1.000	12	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,5|C<3>}	123.7295	0.555	17	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	123.1054	0.674	42	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8225	0.922	805	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	123.6145	0.751	26	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	124.6970	0.000	1	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1022	0.473	15	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	123.7425	0.315	2	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0577	0.792	4	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	124.0460	0.000	1	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1262	0.441	20	123.9135	1.234	1010	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(C[6]C[6]H){1|H<1>,4|C<3>}	123.9590	0.817	2	123.9590	0.668	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	126.4210	0.000	1	126.4210	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	126.3456	1.549	9	125.7831	2.397	13	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	124.5175	0.324	4	125.7831	2.397	13	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<14>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H){3|C<3>,3|H<1>}	120.8560	0.000	1	121.3395	0.727	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<15>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H){3|C<3>,3|H<1>}	121.9065	0.612	2	121.3395	0.727	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<14>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	121.9880	0.000	1	121.3395	0.727	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<15>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H){2|H<1>,4|C<3>}	120.6900	1.059	2	121.3395	0.727	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){3|C<3>,3|H<1>}	122.6487	0.573	10	122.7015	0.697	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sn<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){1|H<1>,5|C<3>}	121.7220	0.242	2	122.7015	0.697	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sn<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){3|C<3>,3|H<1>}	121.9310	0.033	2	122.7015	0.697	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sn<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.7085	0.740	4	122.7015	0.697	18	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Sn<7>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){3|C<3>,3|H<1>}	122.5425	0.412	2	122.5425	0.170	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Sr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sr<12>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sr)(C[6]C[6]H){3|C<3>,3|H<1>}	122.0220	0.045	2	122.0220	0.002	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ti)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ti)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ti)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ti<11>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ti)(C[6]C[6]H){3|C<3>,3|H<1>}	124.5860	0.000	1	124.5860	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Zn<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8620	0.123	2	123.8620	0.015	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Zn<5>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.5145	0.550	8	124.3573	0.258	12	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0427	0.204	4	124.3573	0.258	12	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.2597	0.693	6	123.4117	2.886	27	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.8167	1.872	8	123.4117	2.886	27	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	122.0316	0.679	12	123.4117	2.886	27	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.6440	0.000	1	123.4117	2.886	27	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1110	0.707	2	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.3444	0.609	7	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0500	0.655	3	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1460	0.000	1	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	122.8475	0.284	2	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	122.7430	0.163	2	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	122.3372	1.212	4	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9763	0.811	10	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.9410	0.828	3	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0025	1.450	4	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	123.4640	0.000	1	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	123.1040	0.665	3	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0791	0.535	18	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1350	0.638	2	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	123.5671	0.507	64	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	123.5158	0.660	10	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1219	0.616	42	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.5460	0.105	2	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	123.4580	0.492	28	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	122.9375	0.434	4	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	122.9779	0.523	37	123.3652	0.489	249	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.4650	0.837	2	123.9430	1.168	3	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	122.8990	0.000	1	123.9430	1.168	3	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8667	0.511	6	123.8667	0.261	6	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	121.6190	0.000	1	124.2911	0.448	81	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.3483	0.600	56	124.2911	0.448	81	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	124.2689	0.616	24	124.2911	0.448	81	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]N[6]H){2|H<1>,3|C<3>}	124.1360	0.289	4	124.1360	0.083	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(H){1|Zn<5>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	121.7800	0.000	1	121.7800	0.000	1	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zr<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zr)(C[6]C[6]H){3|C<3>,3|H<1>}	122.4880	0.390	4	122.4880	0.152	4	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	125.4740	0.000	1	125.6425	0.057	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|N<3>,2|N<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	125.8110	0.000	1	125.6425	0.057	2	124.0941	2.571	6268	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-3:C[6]-3:	C[6](C[6]C[6]P[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(P[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]P[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|P<3>,2|C<3>}	C[6](C[6]C[6]N[6])(P[6]C[6]Mo)(C[6]C[6]H){1|H<1>,5|C<3>}	121.5290	0.000	1	121.5290	0.000	1	121.5290	0.000	1	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])(C[6]N[6]H){1|H<1>,4|C<3>}	123.3470	0.000	1	123.3470	0.000	1	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	123.8640	0.689	3	123.9753	0.366	4	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	124.3090	0.000	1	123.9753	0.366	4	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]N[6]H){1|H<1>,4|C<3>}	123.5430	0.735	2	124.0498	0.532	4	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]N[6]H){1|H<1>,4|C<3>}	124.5565	0.168	2	124.0498	0.532	4	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])2{1|H<1>,1|N<3>,5|C<3>}	124.7180	0.122	2	124.7180	0.015	2	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	122.8960	0.018	2	123.7972	0.532	6	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	124.2477	0.273	4	123.7972	0.532	6	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	123.9095	0.404	2	123.6766	0.467	5	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	123.5213	0.874	3	123.6766	0.467	5	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	122.4540	0.000	1	122.4540	0.000	1	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]N[6])(C[6]N[6]H){1|H<1>,4|C<3>}	124.1110	0.000	1	124.1110	0.000	1	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	124.5090	0.000	1	124.5090	0.000	1	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]N[6]H){1|H<1>,4|C<3>}	125.1845	0.661	2	125.1845	0.437	2	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	123.8177	0.619	6	123.8177	0.383	6	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	123.7170	0.000	1	123.7170	0.000	1	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	124.0410	0.735	3	122.6207	3.816	6	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	123.1780	0.000	1	122.6207	3.816	6	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	120.2115	0.169	2	122.6207	3.816	6	123.7460	1.167	40	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(P[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]P[6])(H)	C[6](C[6]C[6]P[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(P[6]C[6]Mo)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]P[6])(H){1|Mo<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]P[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	121.8000	0.000	1	121.8000	0.000	1	121.8000	0.000	1	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-3:C[6]-3:	C[6](C[6]C[6]P[6])(P[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(P[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]P[6])(P[6]C[6]Sm)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Sm<12>,1|C<4>,1|P<3>,2|C<3>}	C[6](C[6]C[6]P[6])(P[6]C[6]Sm)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	123.5160	0.000	1	123.5160	0.000	1	122.2478	2.862	5	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-3:C[6]-3:	C[6](C[6]C[6]P[6])(P[6]C[6]Tm)(C[6]C[6]H)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(P[6]C[6]Tm)(C[6]C[6]H)	C[6](C[6]C[6]P[6])(P[6]C[6]Tm)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Tm<12>,1|C<4>,1|P<3>,2|C<3>}	C[6](C[6]C[6]P[6])(P[6]C[6]Tm)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	123.2515	1.341	2	123.2515	1.799	2	122.2478	2.862	5	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-3:C[6]-3:	C[6](C[6]C[6]P[6])(P[6]C[6]Yb)(C[6]C[6]H)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(P[6]C[6]Yb)(C[6]C[6]H)	C[6](C[6]C[6]P[6])(P[6]C[6]Yb)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Yb<12>,1|C<4>,1|P<3>,2|C<3>}	C[6](C[6]C[6]P[6])(P[6]C[6]Yb)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	120.6100	0.813	2	120.6100	0.661	2	122.2478	2.862	5	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<5>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	121.9010	0.000	1	124.4350	10.544	4	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<5>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	127.2365	0.308	2	124.4350	10.544	4	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	121.3660	0.000	1	124.4350	10.544	4	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Fe<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	126.3040	1.105	4	126.3040	1.222	4	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<7>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	121.7450	0.000	1	124.2608	5.695	6	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	122.5825	0.320	2	124.2608	5.695	6	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<7>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	126.2183	1.568	3	124.2608	5.695	6	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Mn<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	121.2430	0.000	1	121.2430	0.000	1	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H){1|Pt<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	127.3760	0.000	1	127.3760	0.000	1	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Pt<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9390	0.000	1	123.9390	0.000	1	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Re)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Re<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	122.1860	0.464	6	122.1860	0.215	6	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]C)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ru<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]C){3|C<3>,3|H<1>}	123.5270	0.000	1	123.5270	0.000	1	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ru<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	120.9210	2.401	2	121.6526	1.715	7	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ru<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	122.1805	0.800	4	121.6526	1.715	7	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ru<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	121.0040	0.000	1	121.6526	1.715	7	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Zn<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	122.6450	0.000	1	123.8100	6.840	6	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Zn<5>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	122.2500	0.000	1	123.8100	6.840	6	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Zn<5>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	121.8425	0.670	2	123.8100	6.840	6	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Zn<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	127.1400	0.204	2	123.8100	6.840	6	123.5716	5.631	37	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(N[6]S[6]Co)	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]H)(N[6]S[6]Co){1|H<1>,4|C<3>}	126.4050	0.393	4	126.4050	0.155	4	126.4050	0.155	4	123.7695	3.182	7399	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(N[6]C[6]Al)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]CH)(N[6]C[6]Al){1|H<1>,5|C<3>}	125.2670	0.000	1	125.2670	0.000	1	125.2670	0.000	1	124.8447	3.035	6	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-4:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu2)(C[6]C[6]H){1|H<1>,5|C<3>}	122.7360	0.460	2	122.7360	0.211	2	122.7360	0.211	2	124.8447	3.035	6	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6]Fe)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Fe2)(C[6]C[6]H)	C[6](N[6]C[6]Fe)(C[6]C[6]2)(C[6]C[6]H){1|Fe<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Fe2)(C[6]C[6]H){2|H<1>,4|C<3>}	125.6860	0.129	2	126.1097	0.547	3	126.1097	0.547	3	124.8447	3.035	6	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6](N[6]C[6]Fe)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Fe2)(C[6]C[6]H)	C[6](N[6]C[6]Fe)(C[6]C[6]2)(C[6]C[6]H){1|Fe<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Fe2)(C[6]C[6]H){2|H<1>,4|C<3>}	126.9570	0.000	1	126.1097	0.547	3	126.1097	0.547	3	124.8447	3.035	6	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re){3|H<1>,5|C<3>}	125.0620	0.000	1	125.0620	0.000	1	125.0620	0.000	1	125.0620	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:2:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6]Cu)(C[6]N[6]2)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](N[6]C[6]Cu)(C[6]N[6]2)(C[6]N[6]H){1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(N[6]C[6]){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	122.2870	0.122	2	122.2870	0.015	2	122.7155	0.250	4	122.7155	0.250	4	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:2:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6]Ni)(C[6]N[6]2)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](N[6]C[6]Ni)(C[6]N[6]2)(C[6]N[6]H){1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(N[6]C[6]){1|C<3>,1|H<1>,2|N<2>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	123.1440	0.042	2	123.1440	0.002	2	122.7155	0.250	4	122.7155	0.250	4	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	120.9075	0.442	2	120.9075	0.195	2	120.9075	0.195	2	121.1739	1.609	7	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(N[6]N[6])	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(N[6]N[6]){2|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	121.1100	2.040	3	121.1100	4.160	3	121.1100	4.160	3	121.1739	1.609	7	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]N[5,6]C[6])(C[6]C[6]Br)(N[6]C[6])	C[6](C[6]N[5,6]C[6])(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]N[6])(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]N[5,6]C[6])(C[6]C[6]Br)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]N[5,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	122.1380	0.000	1	122.1380	0.000	1	122.1380	0.000	1	121.1739	1.609	7	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6])	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(N[6]C[6]){1|H<1>,1|N<2>,1|N<3>,1|N<4>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.9340	0.000	1	120.9340	0.000	1	120.9340	0.000	1	121.1739	1.609	7	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Ag)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Ag){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Ag<5>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	124.5510	0.000	1	124.5510	0.000	1	128.4079	2.520	32	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Co)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Co){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Co<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	129.3347	1.068	4	129.3347	1.140	4	128.4079	2.520	32	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Cr)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Cr){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Cr<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	130.2910	0.710	3	130.2910	0.505	3	128.4079	2.520	32	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Cu)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Cu){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Cu<5>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	126.6280	0.000	1	126.6280	0.000	1	128.4079	2.520	32	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Fe)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Fe){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Fe<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	130.0298	0.931	5	130.0298	0.867	5	128.4079	2.520	32	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Mn)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Mn){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Mn<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	127.3960	0.831	6	127.1447	1.018	7	128.4079	2.520	32	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Mn)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Mn){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Mn<6>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	125.6370	0.000	1	127.1447	1.018	7	128.4079	2.520	32	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Ni)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Ni){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Ni<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	129.0860	0.171	2	129.0860	0.029	2	128.4079	2.520	32	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Pd)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Pd){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Pd<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	127.1890	0.000	1	127.1890	0.000	1	128.4079	2.520	32	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Pt)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Pt){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Pt<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	127.5360	0.760	3	127.5387	0.385	4	128.4079	2.520	32	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Pt)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Pt){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Pt<6>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	127.5470	0.000	1	127.5387	0.385	4	128.4079	2.520	32	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Zn)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Zn){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]){1|Zn<5>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	128.4957	0.586	4	128.4957	0.343	4	128.4079	2.520	32	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N){1|N<2>,2|H<1>,3|C<3>}	124.3010	0.000	1	124.3010	0.000	1	124.3010	0.000	1	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OH){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	129.3193	0.723	4	129.3193	0.522	4	126.5507	5.913	18	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OC)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OC){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	125.6755	1.975	10	125.6755	3.900	10	126.5507	5.913	18	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OP[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OP[6]){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	123.5470	0.536	2	123.5470	0.287	2	126.5507	5.913	18	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OH){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	128.3935	0.639	2	128.3935	0.408	2	126.5507	5.913	18	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Re)(C[6]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a])	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Re)(C[6]C[6]N[6]){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a]){1|Re<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	123.5710	0.000	1	123.5710	0.000	1	125.1915	5.252	2	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Ru)(C[6]C[6]N[6])	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a])	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Ru)(C[6]C[6]N[6]){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6,6a]){1|Ru<9>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	126.8120	0.000	1	126.8120	0.000	1	125.1915	5.252	2	127.5783	4.751	53	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|N<3>,2|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6])(H){1|H<1>,4|C<3>}	119.3760	0.000	1	119.3760	0.000	1	119.3760	0.000	1	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2){1|C<2>,1|P<5>,4|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])(H){2|H<1>,3|C<3>}	120.3000	0.000	1	120.3000	0.000	1	120.3000	0.000	1	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]Te)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|Te<2>,1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]Te)(C[6]C[6]2)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(H){2|H<1>,3|C<3>}	121.6360	0.000	1	121.6360	0.000	1	120.9145	1.041	2	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]Te)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]Te)(C[6]C[6]2)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|Te<2>,1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(H){1|Te<2>,1|H<1>,3|C<3>}	120.1930	0.000	1	120.1930	0.000	1	120.9145	1.041	2	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Co)	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Co){1|Co<6>,1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	123.1350	0.000	1	123.1350	0.000	1	122.4910	0.829	2	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Mn)	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Mn){1|Mn<6>,1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	121.8470	0.000	1	121.8470	0.000	1	122.4910	0.829	2	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	122.7310	0.000	1	122.7310	0.000	1	123.5025	0.581	4	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	123.0200	0.000	1	123.0200	0.000	1	123.5025	0.581	4	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	124.1295	0.357	2	124.1295	0.128	2	123.5025	0.581	4	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Ag<4>,1|C<2>,1|N<3>,2|C<3>}	120.3350	0.185	2	120.3350	0.034	2	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	125.0112	0.570	6	125.0112	0.324	6	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cu)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	121.9570	0.000	1	122.8075	1.447	2	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cu)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	123.6580	0.000	1	122.8075	1.447	2	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	124.8907	0.176	4	124.8907	0.031	4	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	125.8307	0.177	4	125.8307	0.031	4	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	125.3160	0.000	1	125.3160	0.000	1	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	124.5270	0.451	2	124.5270	0.204	2	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	124.2980	0.318	2	124.2161	0.225	8	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	124.1888	0.539	6	124.2161	0.225	8	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Ru<5>,1|H<1>,1|N<3>,2|C<3>}	122.8370	0.793	2	122.8370	0.629	2	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	124.7360	0.295	4	124.7360	0.087	4	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6])(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	124.0205	0.230	4	124.0205	0.053	4	124.3086	1.641	39	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])(C[6]N[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Co<5>,1|N<3>,3|C<3>}	122.8940	0.000	1	122.8940	0.000	1	122.5876	0.567	8	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]N[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Cu<4>,1|N<3>,3|C<3>}	122.4795	1.616	2	122.5358	0.925	4	122.5876	0.567	8	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]N[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Cu<5>,1|N<3>,3|C<3>}	122.5920	0.390	2	122.5358	0.925	4	122.5876	0.567	8	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]N[6])(C[6]N[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Ni<5>,1|N<3>,3|C<3>}	123.2400	0.000	1	123.2400	0.000	1	122.5876	0.567	8	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]N[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Pt<4>,1|N<3>,3|C<3>}	122.2120	0.615	2	122.2120	0.378	2	122.5876	0.567	8	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]N[6]H){1|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(H){1|Ir<6>,1|N<3>,3|C<3>}	121.1940	0.000	1	121.1940	0.000	1	121.1940	0.000	1	123.6281	2.616	58	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)2	C[6](N[6]C[6,6a]Ag)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6])(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)2{1|Ag<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]2)(C[6]C[6]H){1|C<2>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	123.1860	0.000	1	123.1860	0.000	1	123.1860	0.000	1	124.1140	1.722	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-2:	C[6](C[6]C[6]N[6])(C[6]N[6]Ir)(C[6]N[6]O)	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(N[6]C[6])(OC)	C[6](C[6]C[6]N[6])(C[6]N[6]Ir)(C[6]N[6]O){2|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[6]2)(N[6]C[6])(OC){1|Ir<6>,1|C<3>,1|O<2>,2|N<3>}	125.0420	0.000	1	125.0420	0.000	1	125.0420	0.000	1	124.1140	1.722	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6])(CH3)	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	122.7580	0.000	1	122.7580	0.000	1	122.7580	0.000	1	122.7580	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	B[6]-3:C[6]-3:C[6]-3:	B[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](B[6]C[6]N[6])(C[6]B[6]C[6])(C[6]C[6]H)	C[6](B[6]C[6]N[6])(C[6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](B[6]C[6]N[6])(C[6]B[6]C[6])(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[6](B[6]C[6]N[6])(C[6]B[6]C[6])(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]B[6]C[6])(C[6]C[6]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	117.7435	1.754	2	117.7435	3.078	2	117.7435	3.078	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	116.0320	0.195	2	116.0320	0.038	2	116.0320	0.038	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|N<3>,2|C<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6])(C[6]C[6a]N[6])(H){1|C<4>,6|C<3>}	121.1960	0.000	1	121.1960	0.000	1	121.1960	0.000	1	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]2)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]C[6])	C[6](C[6]C[6,6a]C[6])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]2)(C[6]C[6]H){2|H<1>,3|N<3>,4|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6,6a]C[6]){1|B<4>,1|H<1>,2|C<4>,7|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]N[6]H)(H){1|Pd<4>,4|C<3>}	119.8690	0.000	1	119.8690	0.000	1	119.8690	0.000	1	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6])	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2)(C[6]C[6]O){2|H<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6,6a]C[6]){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	120.7660	0.000	1	120.7660	0.000	1	120.7660	0.000	1	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(H){1|O<1>,4|C<3>}	119.5945	0.241	2	119.5945	0.058	2	119.5945	0.058	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	119.6700	0.483	4	119.6700	0.233	4	119.7339	1.042	8	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	119.7978	1.479	4	119.7978	2.188	4	119.7339	1.042	8	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6,6a]H)(C[6]N[5]N[6])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6,6a]H)(C[6]N[5]N[6]){1|Ru<9>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|N<3>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|H<1>,2|N<3>,4|C<3>}	117.9905	1.456	2	117.9905	2.120	2	117.9905	2.120	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]N[6]H)(Cl)	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H){2|C<3>,2|H<1>,3|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|Cl<1>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(Cl){1|Co<6>,1|H<1>,3|C<3>}	122.0160	0.000	1	122.0160	0.000	1	122.0160	0.000	1	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H){2|C<3>,2|H<1>,3|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|Cl<1>,1|B<4>,1|H<1>,2|C<4>,6|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cl<1>,1|Co<6>,3|C<3>}	120.8730	0.000	1	120.8730	0.000	1	120.9515	1.143	11	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.6610	0.000	1	120.6610	0.000	1	120.9515	1.143	11	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5,5a,6]C[5a])(C[5a,6]N[5a,6,6]C[5a])(C[6]C[6]2){1|C<2>,1|P<5>,4|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	121.3510	0.000	1	121.3510	0.000	1	120.9515	1.143	11	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	123.2690	0.000	1	121.1751	1.380	7	120.9515	1.143	11	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	120.8262	0.796	6	121.1751	1.380	7	120.9515	1.143	11	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	119.3560	0.000	1	119.3560	0.000	1	120.9515	1.143	11	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[6](N[6]C[6]Co)(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,2|N<3>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,1|N<3>,2|C<4>,2|H<1>,5|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]2)(H){2|H<1>,3|C<3>}	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]2)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]2)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2){1|N<3>,3|H<1>,7|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	115.9880	0.725	2	115.9880	0.526	2	115.9880	0.526	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]2)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]2)(O){1|H<1>,1|N<3>,4|C<3>}	118.1645	0.408	2	118.1645	0.166	2	118.1645	0.166	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,6|C<3>}	115.6450	0.809	4	115.6950	0.578	6	117.3696	9.313	14	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,6|C<3>}	115.7950	0.946	2	115.6950	0.578	6	117.3696	9.313	14	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){2|H<1>,5|C<3>}	121.8568	0.714	4	121.8568	0.509	4	117.3696	9.313	14	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O){1|O<2>,2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O){1|O<2>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	114.7530	1.140	2	114.7530	1.299	2	117.3696	9.313	14	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2{1|C<4>,2|O<1>,6|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,6|C<3>}	116.0355	0.858	2	116.0355	0.736	2	117.3696	9.313	14	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(H){1|N<3>,1|O<1>,3|C<3>}	119.5405	0.523	2	119.5405	0.273	2	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H){1|O<1>,4|C<3>}	122.2655	1.228	4	122.2655	1.509	4	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.2323	0.162	3	122.2323	0.026	3	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.0395	0.030	2	121.5903	0.320	17	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.5304	0.577	15	121.5903	0.320	17	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	121.1752	1.106	20	121.1752	1.223	20	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	120.7507	1.169	42	121.0466	0.812	356	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){2|H<1>,3|C<3>}	121.0812	0.860	308	121.0466	0.812	356	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){2|H<1>,3|C<3>}	120.9705	0.428	2	121.0466	0.812	356	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	121.5273	0.248	4	121.0466	0.812	356	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H){1|H<1>,5|C<3>}	120.1485	1.665	2	122.4517	3.801	6	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H){1|H<1>,5|C<3>}	123.6033	0.326	4	122.4517	3.801	6	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]Te)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|Te<2>,1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]Te)(C[6]C[6]2)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	121.6060	0.000	1	121.6060	0.000	1	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Pd)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]N[6]Pd)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]N[6]Pd)(C[6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6]Pd)(C[6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pd<5>,1|H<1>,1|N<3>,2|C<3>}	125.1885	0.100	2	125.1885	0.010	2	121.1306	0.986	411	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2)2(C[6]C[6]O)	C[6](C[6]C[6]2)2(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]2)2(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6]2)2(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|H<1>,4|C<3>}	117.2540	0.123	2	117.2540	0.015	2	117.2540	0.015	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2)(N[6]C[6]H)(H){2|H<1>,3|C<3>}	120.0163	0.300	3	120.0163	0.090	3	120.0668	0.057	5	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(N[6]C[6]H)(H){2|H<1>,3|C<3>}	120.1425	0.168	2	120.1425	0.028	2	120.0668	0.057	5	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]N[6]O)2	C[6](C[6]C[6]2)(C[6]N[6]O)2	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2{1|C<3>,2|C<4>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2)(C[6]N[6]O)2{1|C<3>,2|C<4>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	120.1445	0.327	6	120.1445	0.107	6	120.1445	0.107	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Ni)(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]2)(H){1|H<1>,4|C<3>}	121.0413	0.694	16	121.0413	0.481	16	120.8079	0.416	26	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<3>,2|N<3>,4|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]2)(H){1|H<1>,4|C<3>}	120.4346	0.320	10	120.4346	0.102	10	120.8079	0.416	26	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.5065	1.894	4	120.5065	3.586	4	120.5065	3.586	4	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(C[6]N[6]2)	C[6](C[6]C[6]2)(N[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(C[6]N[6]2){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|C<4>,1|O<1>,2|C<3>,5|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	120.4800	0.000	1	120.4800	0.000	1	120.4800	0.000	1	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)2	C[6](N[6]C[6]Pd)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)2{1|Pd<4>,1|C<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	121.0045	0.846	2	121.0045	0.716	2	121.0045	0.716	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(C[6]N[6]H)	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(N[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	121.2523	3.554	4	121.2523	12.632	4	121.2523	12.632	4	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(C[6]N[6]H)	C[6](N[6]C[6]Pt)(C[6]C[6]2)(C[6]C[6]H)	C[6](N[6]C[6]Pt)(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(C[6]N[6]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]2)(H){1|Pt<4>,1|N<3>,3|C<3>}	123.1165	2.043	2	123.1165	4.173	2	123.1165	4.173	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6]C[6]2)	C[6](C[6]C[6]2)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)2(C[6]N[6]2){1|O<2>,2|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])2(C[6]C[6]2){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[6]C[6]2)(C[6]O[6]C)(H){1|C<3>,1|H<1>,2|N<3>}	124.2430	2.653	2	124.2430	7.039	2	122.7487	12.166	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6]C[6]2)	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(C[6]N[6]2){1|N<3>,6|C<3>}	C[6](N[6]C[6a]C[6])2(C[6]C[6]2){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H){1|H<1>,2|N<3>,4|C<3>}	124.2270	2.673	2	124.2270	7.144	2	122.7487	12.166	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](N[6]C[6a]C[6])2(C[6]C[6]2)	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(C[6]N[6]2){1|O<2>,6|C<3>}	C[6](N[6]C[6a]C[6])2(C[6]C[6]2){1|C<4>,2|H<1>,2|O<1>,6|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H){1|H<1>,2|N<3>,3|C<3>}	119.7760	4.487	2	119.7760	20.136	2	122.7487	12.166	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	123.4665	0.572	2	123.4665	0.327	2	123.4665	0.327	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.3260	0.000	1	120.2967	0.413	6	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.8140	0.000	1	120.2967	0.413	6	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.1600	0.758	4	120.2967	0.413	6	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.5535	0.071	2	120.7810	0.158	3	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.2360	0.000	1	120.7810	0.158	3	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	122.5590	0.000	1	124.0425	4.402	2	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	125.5260	0.000	1	124.0425	4.402	2	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.3343	1.601	26	124.2844	2.522	30	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	125.3805	0.400	2	124.2844	2.522	30	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	122.5395	0.598	2	124.2844	2.522	30	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	123.8260	0.000	1	123.8260	0.000	1	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.7550	0.000	1	122.7550	0.000	1	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.6770	0.000	1	122.5696	0.951	16	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.5310	0.000	1	122.5696	0.951	16	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	123.4660	0.549	2	122.5696	0.951	16	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.2477	0.903	12	122.5696	0.951	16	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]U)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]U)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]U){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]U){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|H<1>,1|N<3>,1|U<9>,2|C<3>}	121.1905	0.153	2	121.1905	0.024	2	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){1|B<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	125.3740	0.000	1	123.7798	1.853	4	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	124.4260	0.000	1	123.7798	1.853	4	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	122.4460	0.000	1	123.7798	1.853	4	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	122.8730	0.000	1	123.7798	1.853	4	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|N<3>,1|V<7>,2|C<3>}	122.3710	0.000	1	123.3270	1.828	2	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|N<3>,1|V<7>,2|C<3>}	124.2830	0.000	1	123.3270	1.828	2	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|W<6>,2|C<3>}	124.0508	0.864	4	124.0508	0.747	4	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|W<6>,2|C<3>}	123.2980	0.000	1	123.2980	0.000	1	123.2234	3.210	72	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|Re<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	118.6483	1.971	3	118.6483	3.887	3	120.2686	2.250	11	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|Fe<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.9245	0.778	4	120.9245	0.605	4	120.2686	2.250	11	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|Ni<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	120.8280	0.829	4	120.8280	0.688	4	120.2686	2.250	11	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:P[6]-3:	C[6]-3:C[6]-3:P[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]W)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]W)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]W){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]W){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|C<4>,1|P<3>,1|W<6>,2|C<3>}	125.8495	0.187	2	125.8495	0.035	2	125.8495	0.035	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N[6])(N[6]N[6]Ru)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]N[6])(N[6]N[6]Ru){1|H<1>,6|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.2020	0.000	1	123.2020	0.000	1	123.0809	0.989	7	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N[6])(N[6]N[6]Zn)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N[6])(N[6]N[6]Zn){1|Zn<6>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	123.0607	1.088	6	123.0607	1.183	6	123.0809	0.989	7	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Ir)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Ir)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	121.2560	0.352	2	121.3940	0.119	3	122.1720	0.785	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Ir)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Ir)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	121.6700	0.000	1	121.3940	0.119	3	122.1720	0.785	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Re)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Re)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Re)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Re){3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Re<6>,1|N<3>,3|C<3>}	123.0920	0.000	1	123.0920	0.000	1	122.1720	0.785	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	122.7680	0.000	1	122.8790	0.025	2	122.1720	0.785	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(N[6]C[6]Ir){3|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	122.9900	0.000	1	122.8790	0.025	2	122.1720	0.785	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(C[6]C[6]O){1|O<2>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|H<1>,4|C<3>}	125.9380	0.294	2	125.9380	0.087	2	125.9380	0.087	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Co)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Co){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	127.3410	0.000	1	127.3410	0.000	1	125.7472	5.112	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]N[6]Co)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]N[6]Co){1|Co<6>,2|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|N<3>,3|C<3>}	123.7250	0.901	2	123.7250	0.812	2	125.7472	5.112	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]Co)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]Co){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	129.2290	0.000	1	129.2290	0.000	1	125.7472	5.112	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Cu)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Cu){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	126.0610	0.000	1	126.0610	0.000	1	125.7472	5.112	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Pd)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(N[6]C[6]Pd){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	124.4020	0.000	1	124.4020	0.000	1	125.7472	5.112	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Ag)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Ag){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	120.8240	0.000	1	120.8240	0.000	1	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Co)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Co){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	125.1560	1.051	4	125.1560	1.105	4	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Cr)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Cr){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	125.2777	0.526	3	125.2777	0.277	3	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]N[6]Cu)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]N[6]Cu){1|Cu<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	124.2700	0.512	2	124.2700	0.262	2	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Cu)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Cu){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	126.1700	0.000	1	123.8086	1.881	5	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Cu)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Cu){1|Cu<5>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	123.2182	0.429	4	123.8086	1.881	5	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|Fe<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	117.7788	0.573	4	117.7788	0.328	4	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Fe)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Fe){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	125.9464	0.857	5	125.9464	0.735	5	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Mn)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Mn){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	123.9632	1.073	6	123.7581	1.254	7	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Mn)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Mn){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	122.5280	0.000	1	123.7581	1.254	7	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|Ni<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	117.1090	0.517	4	117.1090	0.267	4	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Ni)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Ni){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	123.9205	0.279	2	123.9205	0.078	2	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Pd)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Pd){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	126.7630	0.000	1	126.7630	0.000	1	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(N[6]C[6]Pt)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(N[6]C[6]Pt){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	125.8743	1.023	4	125.8743	1.047	4	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Pt)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Pt){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	124.8350	1.211	3	124.8560	0.980	4	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Pt)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Pt){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	124.9190	0.000	1	124.8560	0.980	4	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|Re<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	118.4897	1.976	3	118.4897	3.905	3	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Zn)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Zn){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	123.7283	0.517	4	123.7283	0.267	4	123.1766	9.683	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]F)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]F)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(F)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]F){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]F){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(F){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	128.4045	1.484	6	128.4045	2.202	6	128.4045	2.202	6	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[3x6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[3x6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[3x6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[3x6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	121.5220	1.309	4	121.5220	1.714	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<6>,2|C<3>,2|N<3>}	120.7590	0.515	2	120.7590	0.265	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	122.0469	0.595	8	122.0469	0.354	8	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<3>,1|H<1>,1|N<3>,2|C<3>}	122.0385	0.344	2	121.7336	0.206	5	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	121.5303	0.446	3	121.7336	0.206	5	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	125.7545	0.111	2	126.1653	1.069	15	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	126.7208	0.583	10	126.1653	1.069	15	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	125.4060	0.000	1	126.1653	1.069	15	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	124.1785	0.045	2	126.1653	1.069	15	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	122.2210	0.000	1	122.2210	0.000	1	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	122.9105	0.332	2	122.8058	0.102	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cd<7>,1|H<1>,1|N<3>,2|C<3>}	122.7010	0.390	2	122.8058	0.102	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	122.6618	0.398	4	122.0193	0.557	10	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	121.5910	0.598	6	122.0193	0.557	10	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	123.4265	0.040	2	123.9226	0.978	8	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	123.5323	0.571	4	123.9226	0.978	8	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	125.1995	1.225	2	123.9226	0.978	8	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	123.1857	0.426	6	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	123.1064	0.301	9	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	123.1930	0.718	2	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	123.2160	0.000	1	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	122.3253	0.051	3	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	124.3768	0.910	4	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	124.0205	1.230	4	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	124.6790	0.710	8	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	125.4860	0.529	4	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	123.3970	0.359	4	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	124.3965	0.720	34	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	123.3605	0.388	2	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<8>,1|H<1>,1|N<3>,2|C<3>}	124.4670	0.000	1	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	122.0473	0.640	3	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	123.4250	0.100	2	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	121.9415	0.112	2	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|N<3>,3|C<3>}	124.4865	0.180	2	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,2|C<3>,2|N<3>}	125.1505	0.118	2	123.9465	1.064	93	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<8>,1|H<1>,1|N<3>,2|C<3>}	124.3200	0.078	2	124.3200	0.006	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Co<8>,1|N<3>,2|C<3>}	125.6130	0.000	1	123.3990	2.687	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Co<6>,1|N<3>,2|C<3>}	122.6610	0.873	3	123.3990	2.687	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])2(H){2|Co<6>,2|N<3>,3|C<3>}	123.2490	0.250	2	123.2490	0.063	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	124.3060	0.000	1	124.3060	0.000	1	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	125.0053	0.846	4	125.0053	0.715	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	123.2210	0.000	1	123.2210	0.000	1	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	122.5270	0.288	2	122.5270	0.083	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	123.8152	0.233	4	124.5982	2.355	56	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	126.7280	0.522	16	124.5982	2.355	56	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	124.4689	0.435	16	124.5982	2.355	56	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	122.7250	0.052	2	124.5982	2.355	56	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	122.9734	0.388	8	124.5982	2.355	56	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	123.3852	0.601	10	124.5982	2.355	56	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|N<3>,2|C<3>}	123.6770	0.000	1	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	122.7354	0.751	40	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	123.0921	0.341	8	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	121.7812	0.808	10	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	123.4380	0.902	2	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	122.6760	1.075	4	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	122.6940	0.107	2	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	127.7730	0.000	1	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	124.2040	0.000	1	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	124.6015	0.537	2	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	123.3350	0.033	2	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	122.6995	0.816	4	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|N<3>,3|C<3>}	122.9730	0.222	2	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	122.9590	0.361	2	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	124.5533	0.184	3	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	123.2285	0.859	2	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	122.8925	0.078	2	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	122.9540	0.000	1	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	122.2832	0.521	9	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	122.5935	0.781	2	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|N<3>,3|C<3>}	123.4646	0.627	11	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|N<3>,3|C<3>}	123.6955	0.288	2	122.9134	0.955	113	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	122.4300	0.397	2	122.4300	0.158	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	122.6243	0.348	4	122.8422	0.187	6	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	123.2780	0.045	2	122.8422	0.187	6	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Cu<5>,1|N<3>,2|C<3>}	123.4360	0.453	2	124.0854	0.320	12	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){2|Cu<4>,1|N<3>,2|C<3>}	124.7260	0.000	1	124.0854	0.320	12	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){2|Cu<5>,1|N<3>,2|C<3>}	124.1586	0.501	9	124.0854	0.320	12	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H){1|Cu<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	123.1410	0.000	1	123.1410	0.000	1	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(C[6]C[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	122.8860	1.124	2	122.8860	1.264	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	123.9984	0.466	12	123.9984	0.217	12	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	122.6902	0.842	4	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	122.2257	0.953	10	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	124.2517	0.952	3	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	123.2146	0.358	8	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	126.3390	0.326	4	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	123.5993	0.554	3	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	123.6101	0.830	17	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	124.7530	0.803	2	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	124.2345	0.298	4	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|S<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	124.0475	0.565	2	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	122.2940	0.659	2	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|N<3>,3|C<3>}	123.9516	0.638	7	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,2|C<3>,2|N<3>}	124.2563	0.304	6	123.6298	1.347	72	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	122.6235	0.110	2	122.6235	0.012	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Hg<5>,1|H<1>,1|N<3>,2|C<3>}	122.1705	0.339	2	122.1705	0.115	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	122.2210	0.460	2	122.2210	0.211	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	123.3695	0.749	2	123.7727	0.985	95	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	120.3320	1.328	2	123.7727	0.985	95	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	126.4170	0.000	1	123.7727	0.985	95	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	124.6160	0.154	2	123.7727	0.985	95	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	124.1460	0.000	1	123.7727	0.985	95	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	123.2105	1.436	2	123.7727	0.985	95	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<5>,1|H<1>,1|N<3>,2|C<3>}	125.7180	0.704	2	123.7727	0.985	95	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	123.7463	0.756	74	123.7727	0.985	95	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	123.9132	0.835	6	123.7727	0.985	95	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	124.9740	0.000	1	123.7727	0.985	95	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	123.8380	0.335	2	123.7727	0.985	95	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]F)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]F)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	123.9775	0.900	2	123.9775	0.810	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	124.1865	0.921	6	123.8916	0.763	18	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	122.4370	0.000	1	123.8916	0.763	18	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	123.7135	0.134	2	123.8916	0.763	18	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<5>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	122.9590	0.000	1	123.8916	0.763	18	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	124.2620	0.000	1	123.8916	0.763	18	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	124.4290	0.000	1	123.8916	0.763	18	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	123.5332	0.394	5	123.8916	0.763	18	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,2|C<3>,2|N<3>}	125.7500	0.000	1	123.8916	0.763	18	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	123.2710	1.052	2	123.2710	1.107	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	123.1520	0.481	4	123.4824	0.420	8	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	123.8127	0.677	4	123.4824	0.420	8	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Ir<8>,1|N<3>,2|C<3>}	124.9670	0.000	1	125.0555	0.016	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Ir<8>,1|N<3>,2|C<3>}	125.1440	0.000	1	125.0555	0.016	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,1|N<3>,2|C<3>}	122.8130	0.529	2	121.7947	2.257	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){1|Li<4>,1|B<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){1|Li<4>,1|B<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,1|N<3>,2|C<3>}	120.7765	1.531	2	121.7947	2.257	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[3x6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[3x6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	122.0767	0.598	3	122.0016	0.195	5	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[3x6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[3x6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	121.8890	0.151	2	122.0016	0.195	5	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	124.2380	0.687	2	123.4418	0.799	44	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	123.4039	0.891	42	123.4418	0.799	44	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	123.4965	0.216	2	123.2120	0.556	21	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	122.7598	0.346	10	123.2120	0.556	21	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	123.1362	0.730	4	123.2120	0.556	21	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	124.2167	0.829	4	123.2120	0.556	21	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|N<3>,3|C<3>}	123.4500	0.000	1	123.2120	0.556	21	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	123.2020	0.045	2	123.2020	0.002	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	124.1752	0.721	12	123.8285	1.033	18	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	123.5438	1.331	4	123.8285	1.033	18	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<8>,1|H<1>,1|N<3>,2|C<3>}	122.3180	0.451	2	123.8285	1.033	18	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	121.8120	0.000	1	122.4123	0.291	3	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|N<3>,3|C<3>}	122.7125	0.202	2	122.4123	0.291	3	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	126.8865	0.795	2	124.0524	1.329	50	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	126.3465	0.083	2	124.0524	1.329	50	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	123.5445	1.010	2	124.0524	1.329	50	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	124.0785	0.071	2	124.0524	1.329	50	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	124.0923	0.730	24	124.0524	1.329	50	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	123.4829	1.035	18	124.0524	1.329	50	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	124.5055	0.298	2	123.1459	1.451	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|Ni<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|Ni<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	119.4030	0.000	1	123.1459	1.451	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|Ni<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|Ni<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	121.1640	0.000	1	123.1459	1.451	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	121.5895	0.797	12	123.1459	1.451	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	123.4027	0.462	7	123.1459	1.451	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	123.4813	0.290	8	123.1459	1.451	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	123.1270	0.000	1	123.1459	1.451	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	124.7060	0.223	3	123.1459	1.451	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	125.7280	0.000	1	123.1459	1.451	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	123.5185	0.482	6	123.1459	1.451	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|N<3>,3|C<3>}	123.5524	0.617	19	123.1459	1.451	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	122.8271	1.222	23	122.8271	1.493	23	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Ni<5>,1|N<3>,2|C<3>}	124.7420	0.270	2	124.7420	0.073	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])2(H){2|Ni<6>,2|N<3>,3|C<3>}	123.7780	0.059	2	123.7780	0.004	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(C[6]C[6]H){1|Ni<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	121.1930	0.033	2	122.4277	0.589	10	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(C[6]C[6]H){1|Ni<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	122.7364	0.462	8	122.4277	0.589	10	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	123.6853	0.454	6	123.8806	0.521	9	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	124.2710	1.106	3	123.8806	0.521	9	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	123.5362	0.765	4	123.5362	0.585	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<3>,1|H<1>,1|N<3>,2|C<3>}	123.6530	0.475	2	123.2922	0.288	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	122.9315	0.343	2	123.2922	0.288	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	126.6510	0.557	2	123.6732	1.867	70	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	122.5185	0.774	2	123.6732	1.867	70	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	123.6234	1.347	58	123.6732	1.867	70	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	123.5784	0.747	8	123.6732	1.867	70	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	122.3400	1.109	3	123.6039	1.485	12	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	123.2435	0.166	2	123.6039	1.485	12	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	122.8350	0.000	1	123.6039	1.485	12	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	124.4842	0.843	6	123.6039	1.485	12	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	123.8650	0.000	1	123.8650	0.000	1	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	121.9908	0.379	4	121.9908	0.143	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	127.8383	1.077	23	124.3355	3.481	196	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	127.9315	0.237	2	124.3355	3.481	196	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	126.1953	1.312	6	124.3355	3.481	196	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	124.3761	1.247	23	124.3355	3.481	196	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	124.6470	0.124	2	124.3355	3.481	196	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	124.0673	1.047	70	124.3355	3.481	196	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	123.6858	0.966	10	124.3355	3.481	196	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	123.3276	1.044	54	124.3355	3.481	196	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	120.8730	0.839	6	124.3355	3.481	196	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|N<3>,3|C<3>}	123.6660	0.000	1	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	124.6260	1.182	4	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	127.2088	0.289	4	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	122.1340	0.000	1	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	124.0925	1.252	4	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	123.9830	0.000	1	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	123.8510	0.000	1	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	124.3085	0.439	2	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	123.6160	0.000	1	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	123.3840	0.000	1	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	123.5412	0.684	6	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|I<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	122.9380	0.959	2	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	122.6570	0.515	4	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	124.3208	1.111	6	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	123.4010	0.540	8	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|N<3>,3|C<3>}	124.1282	1.232	5	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,2|C<3>,2|N<3>}	123.9700	0.000	1	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|N<3>,3|C<3>}	123.2146	0.958	7	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,2|C<3>,2|N<3>}	123.1998	0.898	5	123.8587	1.652	64	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	123.1035	0.885	2	123.1035	0.783	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	122.3177	0.612	4	122.3177	0.374	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	123.5517	0.236	3	123.5517	0.056	3	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	125.0030	0.000	1	125.0267	1.034	11	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	124.9857	1.031	4	125.0267	1.034	11	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	125.0580	1.195	6	125.0267	1.034	11	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[3x6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[3x6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	120.7130	0.000	1	120.7130	0.000	1	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<5>,1|H<1>,1|N<3>,2|C<3>}	124.4730	0.000	1	124.4730	0.000	1	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	123.4495	0.324	4	123.4772	0.313	56	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<5>,1|H<1>,1|N<3>,2|C<3>}	123.2710	0.075	2	123.4772	0.313	56	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	123.4877	0.586	50	123.4772	0.313	56	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	121.8928	0.669	8	122.8106	1.103	27	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	122.1158	0.538	4	122.8106	1.103	27	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	123.5980	0.000	1	122.8106	1.103	27	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	122.8030	0.000	1	122.8106	1.103	27	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	123.9830	0.000	1	122.8106	1.103	27	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	123.3040	0.686	3	122.8106	1.103	27	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	123.4040	0.522	2	122.8106	1.103	27	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|P<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	123.3290	0.000	1	122.8106	1.103	27	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	122.6440	0.000	1	122.8106	1.103	27	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	124.0003	0.657	3	122.8106	1.103	27	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,2|C<3>,2|N<3>}	123.6015	2.170	2	122.8106	1.103	27	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	123.0273	0.705	12	123.0273	0.497	12	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Re)(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Re)(C[6]C[6]N[6]){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	124.5550	0.000	1	124.5550	0.000	1	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	123.2005	0.655	2	124.0903	0.428	22	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	124.2172	0.620	18	124.0903	0.428	22	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	123.8375	0.149	2	124.0903	0.428	22	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	123.7270	0.000	1	123.4536	0.623	5	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|N<3>,3|C<3>}	123.3852	0.894	4	123.4536	0.623	5	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	123.0205	0.267	2	123.0205	0.071	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Rh<8>,1|N<3>,2|C<3>}	124.8560	0.000	1	124.8560	0.000	1	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	126.3605	0.019	2	126.3605	0.000	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|H<1>,1|N<3>,2|C<3>}	122.8093	0.514	3	122.8093	0.264	3	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.5490	0.000	1	123.6051	1.256	58	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.9100	0.000	1	123.6051	1.256	58	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.5442	1.194	50	123.6051	1.256	58	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	123.8865	0.129	2	123.6051	1.256	58	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	124.1755	0.207	2	123.6051	1.256	58	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	124.0310	0.000	1	123.6051	1.256	58	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<9>,1|N<3>,3|C<3>}	124.2720	0.000	1	123.6051	1.256	58	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	122.2195	0.633	4	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	125.6220	2.399	2	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	123.7435	0.921	2	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	121.0770	1.274	2	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	123.6565	2.071	2	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	123.1450	0.000	1	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	124.1420	0.000	1	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	122.6480	0.321	2	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	123.6735	0.094	2	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	124.0790	0.000	1	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.1830	0.619	5	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.6791	0.410	7	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	124.4710	0.000	1	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	123.3290	0.000	1	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	122.7620	0.602	2	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|N<3>,3|C<3>}	123.6502	0.572	19	123.4339	1.047	54	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]I)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|I<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|I<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]I)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.8975	0.204	2	123.8975	0.042	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.4770	0.103	2	123.4770	0.011	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.5712	0.551	4	123.7879	0.254	16	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	123.8602	0.491	12	123.7879	0.254	16	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.0745	0.454	4	123.0745	0.206	4	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Ru<9>,1|N<3>,2|C<3>}	123.4160	0.000	1	123.4160	0.000	1	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Ru)(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(N[6]C[6,6a]Ru)(C[6]C[6]N[6]){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	125.3970	0.000	1	125.3970	0.000	1	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Sn<6>,1|H<1>,1|N<3>,2|C<3>}	123.1100	0.158	2	123.1100	0.025	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	123.6070	0.409	2	123.2887	0.179	8	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	123.3695	0.334	4	123.2887	0.179	8	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	122.8090	0.245	2	123.2887	0.179	8	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	122.8330	0.899	4	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	122.9430	0.115	2	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|Zn<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|Zn<5>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	120.7100	0.000	1	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|Zn<5>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|Zn<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	122.7290	0.000	1	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	123.7165	0.158	2	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	123.4672	0.508	6	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	123.8265	0.336	2	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	123.0717	2.679	8	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	123.0300	0.867	2	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<4>,1|N<3>,2|C<3>}	123.5808	0.754	12	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	122.9984	0.637	7	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	123.0580	0.000	1	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	123.3700	0.341	2	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	123.0480	0.407	6	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	123.2003	0.412	3	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	124.0160	0.000	1	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<3>,1|H<1>,1|N<3>,2|C<3>}	122.7190	0.000	1	123.2059	1.283	61	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	122.3750	0.517	6	122.3750	0.268	6	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Zn<5>,1|N<3>,2|C<3>}	123.1595	0.093	2	123.1595	0.009	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(C[6]C[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,2|C<3>,2|N<3>}	123.8615	0.378	2	123.8615	0.143	2	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(C[6]C[6]H){1|Ni<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,2|C<3>,2|N<3>}	123.3840	0.188	2	124.4305	0.509	10	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(C[6]C[6]H){1|Ni<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,2|C<3>,2|N<3>}	124.6921	0.509	8	124.4305	0.509	10	123.6456	1.772	1566	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(H){1|Co<6>,1|N<3>,3|C<3>}	124.2850	0.000	1	124.2850	0.000	1	123.7615	0.548	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]N[6]H){1|Cu<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(H){1|Cu<4>,1|N<3>,3|C<3>}	123.2380	0.000	1	123.2380	0.000	1	123.7615	0.548	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	N[5,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]N[6])(C[6]C[6]H){1|Pd<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	117.2700	0.000	1	117.2700	0.000	1	117.2700	0.000	1	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]C[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(C[6]C[6]Pd)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]C[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]N[6])(C[6]C[6]Pd){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	128.4850	0.000	1	128.4850	0.000	1	128.4850	0.000	1	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])2{1|Co<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	124.7850	0.532	2	124.7850	0.283	2	124.4253	1.719	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])2{1|Fe<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	124.7550	0.339	2	124.7550	0.115	2	124.4253	1.719	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	123.9240	0.000	1	123.9240	0.000	1	124.4253	1.719	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]N[6])2{1|Ni<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	122.2855	0.159	2	122.2855	0.025	2	124.4253	1.719	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	126.8420	0.000	1	126.8420	0.000	1	124.4253	1.719	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	125.8310	1.198	2	124.4752	1.908	5	124.4253	1.719	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.5713	0.189	3	124.4752	1.908	5	124.4253	1.719	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])2{1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	124.7930	0.006	2	124.7930	0.000	2	124.4253	1.719	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P[6])(P[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]P[6])(P[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(P[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(P[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Mn<5>,1|C<4>,1|P<3>,2|C<3>}	126.1955	0.350	2	126.1955	0.123	2	125.3450	2.231	3	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P[6])(P[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]P[6])(P[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(P[6]C[6]Sm)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(P[6]C[6]Sm)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Sm<12>,1|P<3>,3|C<3>}	123.6440	0.000	1	123.6440	0.000	1	125.3450	2.231	3	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[5,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]N[5,6]C[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]N[5,6]C[6])(C[6]N[6]H)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]N[6])(C[6]C[6]H){1|Pd<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5,6]C[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]N[5,6]C[6])(C[6]N[6]H)(H){2|C<3>,2|N<3>}	122.5050	0.000	1	122.5050	0.000	1	122.5050	0.000	1	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ag)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)2	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]2)(C[6]C[6]H){1|C<2>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)2{1|Ag<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ag<4>,4|C<3>}	120.1240	0.000	1	120.1240	0.000	1	125.4299	7.391	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Au)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Au)(C[6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Au)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Au<4>,4|C<3>}	121.4590	0.000	1	121.4590	0.000	1	125.4299	7.391	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	125.5302	0.292	4	125.5302	0.085	4	125.4299	7.391	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(C[6]N[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	126.6400	2.674	4	126.6400	7.149	4	125.4299	7.391	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]N[6]Ir)(C[6]N[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6])(C[6]N[6]Ir)(C[6]N[6]O){2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	127.3350	0.000	1	127.3350	0.000	1	125.4299	7.391	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pd)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)2{1|Pd<4>,1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	121.5020	0.000	1	121.5020	0.000	1	125.4299	7.391	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	127.1510	0.000	1	127.1510	0.000	1	125.4299	7.391	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Pt)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(C[6]N[6]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	127.5980	0.728	2	127.5980	0.530	2	125.4299	7.391	15	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Fe<6>,1|N<3>,3|C<3>}	128.8335	0.845	2	128.8335	0.714	2	128.8335	0.714	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]B[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){1|B<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(N[6]B[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	123.1485	1.083	2	123.1485	1.172	2	123.2575	0.485	4	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]B[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2){1|B<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(N[6]B[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	123.3665	0.486	2	123.3665	0.236	2	123.2575	0.485	4	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Co<4>,1|N<3>,3|C<3>}	122.0643	0.395	6	122.0643	0.156	6	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H){1|Cu<4>,1|N<3>,3|C<3>}	122.3115	0.235	2	122.3115	0.055	2	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<4>,1|N<3>,3|C<3>}	122.3022	0.576	6	121.8914	0.573	12	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<5>,1|N<3>,3|C<3>}	121.5395	0.677	2	121.8914	0.573	12	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<6>,1|N<3>,3|C<3>}	121.4513	0.848	4	121.8914	0.573	12	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Fe<4>,1|N<3>,3|C<3>}	121.8380	0.345	2	121.8380	0.119	2	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	122.3450	1.511	6	122.3450	2.283	6	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]N[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	122.9270	0.000	1	122.9270	0.000	1	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H){1|Mn<6>,1|N<3>,3|C<3>}	122.2530	0.174	2	122.2530	0.030	2	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Mn<5>,1|N<3>,3|C<3>}	122.2885	0.057	2	122.2885	0.003	2	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Mo)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Mo)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Mo)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Mo)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Mo<6>,1|N<3>,3|C<3>}	120.8625	1.021	4	120.8625	1.042	4	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Os)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]N[6])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](N[6]C[6,6a]Os)(C[6]C[6]N[6])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H){1|Os<6>,1|N<3>,3|C<3>}	122.2325	1.872	2	122.2325	3.503	2	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Pt<4>,1|N<3>,3|C<3>}	123.3115	2.007	2	123.3115	4.030	2	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Re)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Re<6>,1|N<3>,3|C<3>}	121.7697	0.511	6	121.7697	0.261	6	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ru<8>,1|N<3>,3|C<3>}	121.7230	0.288	2	121.7230	0.083	2	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Zn<4>,1|N<3>,3|C<3>}	121.9282	0.435	4	121.9282	0.189	4	121.9958	0.824	53	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](N[6]C[6,6a]Cd)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]N[6])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]N[6])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]N[6])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|Cd<4>,1|N<3>,3|C<3>}	121.1985	0.121	2	121.1985	0.015	2	121.1985	0.015	2	122.9951	3.616	2351	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]N[6]O)(CN)	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]O)(CN){1|C<2>,1|C<4>,3|C<3>}	120.2607	0.648	6	120.2607	0.420	6	120.2607	0.420	6	122.1192	7.790	16	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OCo)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O){1|O<2>,2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O){1|O<2>,2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OCo){1|O<1>,4|C<3>}	124.0680	0.479	2	124.0680	0.230	2	124.0680	0.230	2	122.1192	7.790	16	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)2	C[6](N[6]C[6,6a]Ag)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)2{1|Ag<4>,2|H<1>,3|C<3>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]2)(C[6]C[6]H){1|C<2>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(OC){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	117.4200	0.000	1	117.4200	0.000	1	117.4200	0.000	1	122.1192	7.790	16	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6]N[6])2(N[6]C[6]Ag)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6])	C[6](C[6]C[6]N[6])2(N[6]C[6]Ag){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]){2|Ag<5>,1|N<3>,2|H<1>,4|C<3>}	125.8770	0.000	1	125.8770	0.000	1	125.7317	0.036	3	122.1192	7.790	16	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6])	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]){2|Cu<4>,1|N<3>,2|H<1>,4|C<3>}	125.6590	0.199	2	125.6590	0.040	2	125.7317	0.036	3	122.1192	7.790	16	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]O)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OOs)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]O){1|Os<6>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]O){1|Os<6>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OOs){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	119.9200	0.134	2	119.9200	0.018	2	119.9200	0.018	2	122.1192	7.790	16	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-2:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6,6a])	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6,6a]){2|Cu<4>,1|H<1>,1|N<3>,5|C<3>}	124.8765	0.077	2	124.8765	0.006	2	124.8765	0.006	2	122.1192	7.790	16	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[5a,6]-3:C[6]-3:	N[6]-3:N[5]-3:C[6]-3:	C[6](C[6]C[5a,6]2)(C[6]C[6,6a]H)(C[6]N[5]N[6])	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2)	C[6](N[6]C[6,6a]Ru)(N[5]C[5]N[5])(C[6]C[6]2)	C[6](C[6]C[5a,6]2)(C[6]C[6,6a]H)(C[6]N[5]N[6]){1|Ru<9>,3|N<3>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])2(C[6]C[6]2){1|B<4>,2|N<3>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]Ru)(N[5]C[5]N[5])(C[6]C[6]2){2|H<1>,6|C<3>}	124.5770	2.031	2	124.5770	4.124	2	124.5770	4.124	2	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]2)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2)	C[6](C[6]C[6]2)2(C[6]C[6]O)	C[6](C[6]C[6,6a]2)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])2(C[6]C[6]2){1|N<3>,3|H<1>,7|C<3>}	C[6](C[6]C[6]2)2(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	123.5965	1.211	2	123.5965	1.467	2	123.5965	1.467	2	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<4>,1|H<1>,4|C<3>}	122.9830	0.000	1	122.9830	0.000	1	122.9830	0.000	1	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(COO)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(COO){1|O<1>,4|C<3>}	122.5630	0.550	2	122.5630	0.303	2	122.5630	0.303	2	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2{1|C<4>,2|O<1>,6|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2{1|C<4>,2|O<1>,6|C<3>}	122.5000	0.626	2	122.5000	0.392	2	123.9112	2.798	4	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)2(C[6]C[6]O)	C[6](C[6]C[6,6a]2)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)2(C[6]C[6]O)	C[6](C[6]C[6]2)2(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]2)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	C[6](C[6]C[6]2)2(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	125.3225	0.190	2	125.3225	0.036	2	123.9112	2.798	4	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Rh)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Rh){1|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Rh<6>,1|N<3>,2|H<1>,7|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	125.8432	1.170	4	125.8432	1.369	4	126.4757	2.880	7	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]N[6]Cu)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]N[6]Cu){1|Cu<4>,1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Cu<4>,2|H<1>,2|N<3>,6|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	126.9855	2.962	2	126.9855	8.774	2	126.4757	2.880	7	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]N[6]Ru)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]N[6]Ru){1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Ru<6>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	127.9860	0.000	1	127.9860	0.000	1	126.4757	2.880	7	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	125.9305	1.060	2	125.9305	1.124	2	125.9305	1.124	2	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6]Co)	C[6](C[6]C[6]N[6])2(N[6]C[6]Co)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Co){1|Co<6>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Co){1|Co<6>,1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	127.5360	0.000	1	127.5360	0.000	1	126.9525	0.681	2	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6]Mn)	C[6](C[6]C[6]N[6])2(N[6]C[6]Mn)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Mn){1|Mn<6>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Mn){1|Mn<6>,1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	126.3690	0.000	1	126.3690	0.000	1	126.9525	0.681	2	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6]Co)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Co)	C[6](C[6]C[6]N[6])2(N[6]C[6]Co){1|Co<6>,1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Co){1|Co<6>,1|N<3>,2|H<1>,4|C<3>}	126.6470	0.000	1	126.6470	0.000	1	128.2701	4.584	19	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6]Cr)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Cr)	C[6](C[6]C[6]N[6])2(N[6]C[6]Cr){1|Cr<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Cr){1|Cr<6>,1|H<1>,1|N<3>,5|C<3>}	130.1422	0.646	8	130.1422	0.417	8	128.2701	4.584	19	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]H){2|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	126.1710	0.000	1	126.1710	0.000	1	128.2701	4.584	19	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu)	C[6](C[6]C[6]N[6])2(N[6]C[6]H){2|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Cu){1|C<2>,1|N<3>,3|C<3>,3|H<1>}	125.5870	0.000	1	125.5870	0.000	1	128.2701	4.584	19	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6]Ir)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Ir)	C[6](C[6]C[6]N[6])2(N[6]C[6]Ir){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Ir){1|Ir<6>,1|N<3>,2|H<1>,4|C<3>}	126.0510	0.297	2	126.0510	0.088	2	128.2701	4.584	19	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6]Mn)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Mn)	C[6](C[6]C[6]N[6])2(N[6]C[6]Mn){1|Mn<6>,1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Mn){1|Mn<6>,1|N<3>,2|H<1>,4|C<3>}	126.8490	0.000	1	126.8490	0.000	1	128.2701	4.584	19	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6]Ni)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Ni)	C[6](C[6]C[6]N[6])2(N[6]C[6]Ni){1|Ni<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Ni){1|Ni<6>,1|H<1>,1|N<3>,5|C<3>}	129.7945	0.052	2	129.7945	0.003	2	128.2701	4.584	19	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6]Re)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Re)	C[6](C[6]C[6]N[6])2(N[6]C[6]Re){1|Re<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Re){1|Re<6>,1|H<1>,1|N<3>,5|C<3>}	123.9420	0.000	1	123.9420	0.000	1	128.2701	4.584	19	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])2(N[6]C[6]Ru)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(N[6]C[6]Ru)	C[6](C[6]C[6]N[6])2(N[6]C[6]Ru){1|Ru<9>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])2(N[6]C[6]Ru){1|Ru<9>,1|N<3>,2|H<1>,4|C<3>}	127.5535	0.978	2	127.5535	0.956	2	128.2701	4.584	19	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Cu)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]Cu)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(N[6]C[6]Cu){1|Cu<5>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N[6])(N[6]C[6]Cu){1|Cu<5>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	124.4477	0.370	3	124.4477	0.137	3	124.4477	0.137	3	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]C){2|H<1>,4|C<3>}	126.7805	0.340	2	126.7805	0.116	2	126.9193	0.145	4	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]C){2|H<1>,4|C<3>}	127.0580	0.491	2	127.0580	0.241	2	126.9193	0.145	4	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	129.7697	0.469	4	129.7697	0.220	4	127.4735	5.288	11	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[5]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[5]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	126.4945	1.339	2	126.4945	1.792	2	127.4735	5.288	11	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	126.8072	1.269	4	126.8072	1.610	4	127.4735	5.288	11	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	122.9110	0.000	1	122.9110	0.000	1	127.4735	5.288	11	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])2	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])2{1|Co<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])2{1|Co<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	126.4825	0.532	2	126.4825	0.284	2	125.4856	1.906	8	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])2	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])2{1|Fe<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])2{1|Fe<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	126.1745	0.199	2	126.1745	0.039	2	125.4856	1.906	8	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Ni)(C[6]C[6]N[6])2	C[6](N[6]C[6,6a]Ni)(C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]N[6])2{1|Ni<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]N[6])2{1|Ni<6>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	123.3170	0.460	2	123.3170	0.211	2	125.4856	1.906	8	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])2	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])2	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])2{1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])2{1|Zn<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	125.9685	0.043	2	125.9685	0.002	2	125.4856	1.906	8	126.4991	5.604	67	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CH3){1|O<1>,4|C<3>}	123.8445	0.902	4	123.8445	0.813	4	122.6812	7.376	5	125.6222	5.957	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|H<1>,4|C<3>}	118.0280	0.000	1	118.0280	0.000	1	122.6812	7.376	5	125.6222	5.957	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	125.9440	0.000	1	125.9440	0.000	1	126.7426	1.078	12	125.6222	5.957	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	126.5110	0.000	1	126.8152	1.116	11	126.7426	1.078	12	125.6222	5.957	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	127.3692	1.397	4	126.8152	1.116	11	126.7426	1.078	12	125.6222	5.957	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	126.4965	0.822	6	126.8152	1.116	11	126.7426	1.078	12	125.6222	5.957	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]C)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]C){3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	126.8820	0.000	1	126.8820	0.000	1	126.8820	0.000	1	125.6222	5.957	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6])(C[6]N[6]HH)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]C[6])(C[6]N[6]HH)(H){1|S<4>,4|C<3>}	121.0030	0.506	2	121.0030	0.256	2	119.6525	2.665	4	120.2547	2.347	11	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(H){4|C<3>}	118.3020	0.665	2	118.3020	0.442	2	119.6525	2.665	4	120.2547	2.347	11	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(C[6]C[6]O)	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(C[6]C[6]O){1|O<2>,4|C<3>,5|H<1>}	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(O){1|N<3>,3|C<3>}	120.1750	0.454	2	120.1750	0.206	2	120.1750	0.206	2	120.2547	2.347	11	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	123.6000	0.000	1	123.6000	0.000	1	123.6000	0.000	1	120.2547	2.347	11	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:S[6]-4:H-1:	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(S[6]C[6]OO)(H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(S[6]C[6]OO)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.1250	1.539	2	120.0605	0.821	4	120.0605	0.821	4	120.2547	2.347	11	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:S[6]-4:H-1:	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(S[6]C[6]OO)(H)	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]S[6]H)(N[6]C[6]H){1|S<4>,2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(S[6]C[6]OO)(H){1|N<3>,2|C<3>,2|H<1>}	119.9960	0.279	2	120.0605	0.821	4	120.0605	0.821	4	120.2547	2.347	11	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]C)	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]C){1|C<4>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]O[6]HH)(CHO){4|C<3>}	123.0020	0.058	2	123.0020	0.003	2	123.0020	0.003	2	123.0020	0.003	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(C[6]N[6]2)	C[6](C[6]C[6]2)(N[6]C[6]H)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6]O)2(C[6]N[6]2){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]2)(N[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|O<1>,2|N<3>,3|C<4>}	120.2388	0.193	6	120.2388	0.037	6	120.2388	0.037	6	120.2388	0.037	6	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6]Rh)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(C[6]C[6]RhH)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](N[6]C[6,6]Rh)(C[6]C[6]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(C[6]C[6]RhH){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Rh<5>,1|C<4>,3|C<3>}	122.6920	0.000	1	122.6920	0.000	1	122.6920	0.000	1	122.6920	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2{1|C<4>,2|O<1>,6|C<3>}	120.6340	0.117	2	120.6340	0.014	2	119.8870	1.681	3	119.8870	1.681	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	118.3930	0.000	1	118.3930	0.000	1	119.8870	1.681	3	119.8870	1.681	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]OV)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]V){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]OV)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|V<7>,2|C<3>}	118.7800	0.601	2	118.6308	0.165	4	118.6308	0.165	4	118.4809	0.439	13	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]OV)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]V){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]OV)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|V<8>,2|C<3>}	118.4815	0.210	2	118.6308	0.165	4	118.6308	0.165	4	118.4809	0.439	13	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ta)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]TaO)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]TaO)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ta<8>,1|C<4>,1|H<1>,2|C<3>}	118.2585	0.721	6	118.2585	0.519	6	118.4143	0.581	9	118.4809	0.439	13	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Ti)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]TiO)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]TiO)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ti<7>,1|C<4>,1|H<1>,2|C<3>}	119.0900	0.905	2	119.0900	0.819	2	118.4143	0.581	9	118.4809	0.439	13	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6]Zr)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]ZrO)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]ZrO)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zr<10>,1|C<4>,1|H<1>,2|C<3>}	117.9980	0.000	1	117.9980	0.000	1	118.4143	0.581	9	118.4809	0.439	13	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|O<1>,4|C<4>}	121.2031	0.572	10	121.2031	0.327	10	121.2031	0.327	10	121.6958	1.593	12	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]N[6])(H){1|Al<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	124.1595	0.115	2	124.1595	0.013	2	124.1595	0.013	2	121.6958	1.593	12	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H){2|C<3>,3|C<2>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	122.0675	0.112	2	122.0675	0.013	2	122.0675	0.013	2	121.3798	1.002	4	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]N[6])(C[6]O[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]2)(O[6]C[6])(O)	C[6](C[6]C[6]N[6])(C[6]O[6]O)2{3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(N[6]C[6]H){2|H<1>,2|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]2)(O[6]C[6])(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	120.6920	1.049	2	120.6920	1.101	2	120.6920	1.101	2	121.3798	1.002	4	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:2:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]2)(C[6]C[6])(CHH)	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(CHH){2|C<3>,2|C<4>}	122.3440	0.000	1	122.3440	0.000	1	122.3440	0.000	1	122.3440	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)2	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H){3|H<1>,8|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	121.9935	2.927	2	121.9935	8.566	2	121.9935	8.566	2	121.2332	16.507	5	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	114.6640	0.000	1	114.6640	0.000	1	114.6640	0.000	1	121.2332	16.507	5	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]N[6])(N[6]N[6]Re){1|Fe<10>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.3050	0.000	1	123.3050	0.000	1	123.3050	0.000	1	121.2332	16.507	5	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6a]N[6]O)(N[6]C[6,6a]Zn)(C[6]C[6]N[6])	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6]O)(N[6]C[6,6a]Zn)(C[6]C[6]N[6]){1|H<1>,1|N<2>,6|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	124.2100	0.000	1	124.2100	0.000	1	124.2100	0.000	1	121.2332	16.507	5	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C){1|H<1>,3|C<4>,6|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	118.1700	0.635	2	118.1700	0.403	2	118.1700	0.403	2	117.9933	0.295	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|C<2>,1|C<4>,2|C<3>}	117.6400	0.000	1	117.6400	0.000	1	117.6400	0.000	1	117.9933	0.295	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	4:3:2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	124.4870	0.000	1	124.4870	0.000	1	124.4870	0.000	1	124.4870	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH)	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C){1|H<1>,3|C<4>,6|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH){2|C<3>,2|C<4>,2|H<1>}	123.6710	0.318	2	123.6710	0.101	2	123.6710	0.101	2	123.6710	0.101	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	4:4:3:	C[6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC)	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	123.8550	0.445	2	123.8550	0.198	2	123.8550	0.198	2	124.5850	1.698	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	4:4:3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(CCC)	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	126.0450	0.000	1	126.0450	0.000	1	126.0450	0.000	1	124.5850	1.698	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(O){1|C<3>,5|C<4>}	124.7655	1.650	2	124.7655	2.721	2	124.0813	2.765	3	124.0813	2.765	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(O){1|C<3>,1|H<1>,4|C<4>}	122.7130	0.000	1	122.7130	0.000	1	124.0813	2.765	3	124.0813	2.765	3	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(C[6]C[6]RhH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6](N[6]C[6,6]Rh)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(C[6]C[6]RhH){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|Rh<5>,1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6,6]Rh)(C[6]C[6]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	123.3230	0.000	1	123.3230	0.000	1	123.3230	0.000	1	123.3230	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]OV)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]OV)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>,1|V<7>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]V){1|O<2>,2|H<1>,4|C<3>}	119.7830	0.486	2	119.5373	0.188	4	119.5373	0.188	4	119.7710	4.994	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]OV)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]N[6])(C[6]C[6]OV)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>,1|V<8>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]V){1|O<2>,2|H<1>,4|C<3>}	119.2915	0.295	2	119.5373	0.188	4	119.5373	0.188	4	119.7710	4.994	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]Fe2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]Fe2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Fe<5>,1|Fe<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]2)(C[6]C[6]H){1|Fe<6>,1|C<4>,2|C<3>,3|H<1>}	123.2237	0.719	3	123.2237	0.518	3	119.4384	6.386	12	119.7710	4.994	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]TaO)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]TaO)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Ta<8>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6]Ta)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	117.7160	1.236	6	117.7160	1.527	6	119.4384	6.386	12	119.7710	4.994	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]TiO)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]TiO)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Ti<7>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6]Ti)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	119.3630	0.134	2	119.3630	0.018	2	119.4384	6.386	12	119.7710	4.994	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]ZrO)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]ZrO)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Zr<10>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6]Zr)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	118.5680	0.000	1	118.5680	0.000	1	119.4384	6.386	12	119.7710	4.994	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu2)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){2|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,3|C<3>,3|H<1>}	122.2340	0.645	2	122.2340	0.416	2	122.2340	0.416	2	119.7710	4.994	18	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	4:3:3:	4:4:3:	C[6]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-4:C[6]-3:	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC)	C[6](C[6]C[6]HH)2(C[6]C[6]2)	C[6](C[6]C[5,6]C)(C[6]C[6]HO)(C[6]C[6]2){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)2(C[6]C[6]2){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	123.6610	0.000	1	123.6610	0.000	1	123.6610	0.000	1	123.6610	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	4:3:4:	3:3:2:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[6]HO)(C[6]C[6]2)(CH3)	C[6](C[6]C[6]2)(C[6]O[6]H)(O[6]C[6])	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]C[6]C){2|C<3>,2|C<4>,3|H<1>,3|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]2)(CH3){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]O[6]H)(O[6]C[6]){1|C<3>,3|H<1>,4|C<4>}	123.7560	0.000	1	123.7560	0.000	1	123.7560	0.000	1	123.7560	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	4:3:3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]Li2)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]LiH)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]Li2)(C[6]C[6]2)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Li<3>,1|Li<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]LiH)(C[6]C[6]2)(C[6]C[6]H){1|Li<3>,3|C<3>,3|H<1>}	119.0080	0.000	1	119.0080	0.000	1	118.8129	1.741	12	118.8129	1.741	12	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	4:3:3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]LiH)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]Li2)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]LiH)(C[6]C[6]2)(C[6]C[6]H){1|Li<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Li<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]Li2)(C[6]C[6]2)(C[6]C[6]H){3|H<1>,4|C<3>}	121.7640	0.000	1	121.7640	0.000	1	118.8129	1.741	12	118.8129	1.741	12	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	4:3:3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]PrH)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]PrO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]PrH)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pr<17>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]PrO)(C[6]C[6]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.8100	0.000	1	120.8100	0.000	1	118.8129	1.741	12	118.8129	1.741	12	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	4:3:3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]PrO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]PrH)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]PrO)(C[6]C[6]2)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pr<17>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]PrH)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	119.7180	0.000	1	119.7180	0.000	1	118.8129	1.741	12	118.8129	1.741	12	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	4:3:3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]TiO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]TiO)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Ti<10>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]TiO)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	118.0569	0.382	8	118.0569	0.146	8	118.8129	1.741	12	118.8129	1.741	12	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:3:	3:2:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]2)(C[6]C[6]H){2|C<3>,3|C<2>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])(H){1|H<1>,4|C<3>}	123.9620	0.000	1	123.9620	0.000	1	123.9620	0.000	1	123.9620	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)2	C[6](C[6]C[5,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H){3|H<1>,8|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6,6a]H)(H){1|N<3>,5|C<3>}	120.5030	0.000	1	120.5030	0.000	1	120.5030	0.000	1	122.2705	6.248	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	124.0380	0.000	1	124.0380	0.000	1	124.0380	0.000	1	122.2705	6.248	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:3:	3:3:3:	C[5,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C){1|H<1>,3|C<4>,6|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2{2|C<4>,3|H<1>,4|C<3>}	127.5870	0.984	2	127.5870	0.969	2	127.5870	0.969	2	127.5870	0.969	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:3:	3:3:4:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<4>,1|H<1>,3|C<3>}	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	118.0420	0.000	1	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:4:	4:3:3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]OW)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]OW)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]OW)(C[6]C[6]2)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<2>,1|W<8>,2|C<3>}	C[6](C[6]C[6]OW)(C[6]C[6]2)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>}	122.7650	1.266	2	122.7650	1.602	2	122.7650	1.602	2	122.7650	1.602	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]TiO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]TiO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]TiO)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Ti<12>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	119.6675	0.456	2	119.6675	0.208	2	116.5822	5.884	6	116.5822	5.884	6	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]ZrO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]ZrO)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Zr<14>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	115.1745	0.535	2	115.0395	0.218	4	116.5822	5.884	6	116.5822	5.884	6	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]ZrO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]ZrO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]ZrO)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Zr<8>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	114.9045	0.542	2	115.0395	0.218	4	116.5822	5.884	6	116.5822	5.884	6	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:3:	3:4:1:	C[5,6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[5,6]C[6])(C[6]C[6]H){2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	122.2220	0.413	2	122.2220	0.171	2	122.2220	0.171	2	122.2220	0.171	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	0:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:3:	4:3:1:	P[6]-4:C[6]-3:C[6]-3:	P[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]P[6])(C[6]C[6]H)	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]P[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]P[6])(H)	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]P[6])(C[6]C[6]H){1|H<1>,1|O<1>,3|C<4>,6|C<3>}	C[6](P[6]C[6,6a]C[6a]O)(C[6]C[6]P[6])(C[6]C[6]H){1|H<1>,1|O<1>,3|C<4>,6|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]P[6])(H){1|O<1>,1|P<4>,4|C<3>}	122.4820	0.925	2	122.4820	0.855	2	122.4820	0.855	2	122.4820	0.855	2	123.5634	3.726	10344	123.4738	4.024	10937
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[3x6]	3:3:2:	4:3:2:	3:3:3:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6,6]-3:	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|C<1>,2|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C){1|C<3>,1|C<4>,4|C<2>}	112.9540	0.235	2	112.9540	0.055	2	113.1472	0.182	4	113.1472	0.182	4	112.5647	39.889	7	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[3x6]	3:3:2:	4:3:2:	3:3:3:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6,6]-3:	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|Cl<1>,2|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6]Cl)(C[3x6]C[3x6]C[6])(C[6]C[6]){2|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C){1|C<3>,1|C<4>,4|C<2>}	113.3405	0.583	2	113.3405	0.340	2	113.1472	0.182	4	113.1472	0.182	4	112.5647	39.889	7	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[3x6]	3:3:3:	3:3:2:	3:3:2:	C[3x6]-3:C[3x6]-3:C[6,6]-3:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C){1|C<3>,1|C<4>,4|C<2>}	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|C<1>,2|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|C<1>,2|C<2>,3|C<3>}	104.6620	0.000	1	105.5420	1.549	2	105.5420	1.549	2	105.5420	1.549	2	112.5647	39.889	7	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[3x6]	3:3:3:	3:3:2:	3:3:2:	C[3x6]-3:C[3x6]-3:C[6,6]-3:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C){1|C<3>,1|C<4>,4|C<2>}	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|Cl<1>,2|C<2>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|Cl<1>,2|C<2>,3|C<3>}	106.4220	0.000	1	105.5420	1.549	2	105.5420	1.549	2	105.5420	1.549	2	112.5647	39.889	7	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[3x6]	3:4:3:	3:4:3:	4:3:2:	C[3x6]-3:C[3x6]-4:C[3x6]-3:	C[3x6]-3:C[3x6]-4:C[3x6]-3:	C[3x6]-4:C[3x6]-3:S[6]-2:	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6])	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2){1|S<2>,5|C<4>,6|H<1>}	C[3x6](C[3x6]C[3x6]S[6])(C[3x6]C[6,6]2H)(C[3x6]C[3x6]2){1|S<2>,5|C<4>,6|H<1>}	C[3x6](C[3x6]C[6,6]2H)(C[3x6]C[3x6]2)(S[6]S[6]){1|C<3>,3|C<4>,5|H<1>}	124.2800	0.000	1	124.2800	0.000	1	124.2800	0.000	1	124.2800	0.000	1	112.5647	39.889	7	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[3x6]-3:C[3x6]-3:C[6,6]-3:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6,6]-3:C-3:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C){1|C<3>,1|C<4>,4|C<2>}	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|C<1>,2|C<2>,3|C<3>}	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO){1|C<1>,2|C<2>,2|C<3>}	105.9530	0.516	2	105.7467	0.666	4	105.7467	0.666	4	105.7467	0.666	4	105.7467	0.666	4	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[3x6]-3:C[3x6]-3:C[6,6]-3:	C[3x6]-3:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6,6]-3:C-3:	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6])	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C){1|C<3>,1|C<4>,4|C<2>}	C[3x6](C[3x6]C[3x6]C[6,6])(C[3x6]C[3x6]C[6])(C[6]C[6]){1|Cl<1>,2|C<2>,3|C<3>}	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO){1|Cl<1>,2|C<2>,2|C<3>}	105.5405	1.249	2	105.7467	0.666	4	105.7467	0.666	4	105.7467	0.666	4	105.7467	0.666	4	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	121.9245	0.092	4	121.9245	0.009	4	121.9245	0.009	4	121.9245	0.009	4	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	3:4:3:	3:4:3:	3:3:2:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6a]-3:N[6]-2:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6])	C[6](C[3x6]C[3x6]2)(C[6a]C[6a]2)(N[6]N[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6]){1|Ir<6>,1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[3x6]C[3x6]2)(C[6a]C[6a]2)(N[6]N[6]){1|Ir<6>,3|C<3>,3|C<4>,3|H<1>}	118.2687	0.411	3	118.2687	0.169	3	118.2687	0.169	3	118.2687	0.169	3	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	3:4:3:	3:4:3:	3:3:3:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[3x6]-3:C[6a]-3:N[6]-3:	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6])	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6])	C[6](C[3x6]C[3x6]2)(C[6a]C[6a]2)(N[6]N[6]Ir)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6]){1|Ir<6>,1|N<2>,2|C<4>,3|C<3>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[6,6]2H)(C[6]C[6a]N[6]){1|N<3>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[3x6]C[3x6]2)(C[6a]C[6a]2)(N[6]N[6]Ir){2|H<1>,3|C<3>,3|C<4>}	118.7297	0.641	3	118.7297	0.411	3	118.7297	0.411	3	118.7297	0.411	3	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Os<6>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H){1|Os<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.3268	1.077	6	118.5260	1.952	10	118.6040	1.672	31	118.6040	1.672	31	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Pt<4>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H){1|Pt<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	117.3247	0.845	4	118.5260	1.952	10	118.6040	1.672	31	118.6040	1.672	31	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|C<3>,3|C<4>,6|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	119.4993	0.433	7	118.6299	1.896	17	118.6040	1.672	31	118.6040	1.672	31	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Pt<4>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H){1|Pt<4>,2|C<4>,2|H<1>,3|C<3>}	117.3787	1.666	6	118.6299	1.896	17	118.6040	1.672	31	118.6040	1.672	31	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Ru<6>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H){1|Ru<6>,2|C<4>,2|H<1>,3|C<3>}	118.9855	0.221	4	118.6299	1.896	17	118.6040	1.672	31	118.6040	1.672	31	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[6](C[3x6]C[3x6]C[6,6])(C[6]N[6]C)(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,3|H<1>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Fe<6>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,2|C<4>,2|H<1>}	118.6885	0.848	4	118.6885	0.719	4	118.6040	1.672	31	118.6040	1.672	31	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6]-3:N[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Fe)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Fe<6>,1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Fe)(H){1|C<3>,1|H<1>,4|C<4>}	117.9868	0.655	4	117.9868	0.429	4	118.7814	1.538	31	118.6324	1.172	45	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6]-3:N[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|C<3>,3|C<4>,6|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	118.5733	0.441	7	118.5733	0.194	7	118.7814	1.538	31	118.6324	1.172	45	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6]-3:N[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Os)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Os<6>,1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Os)(H){1|H<1>,2|C<3>,3|C<4>}	118.5848	1.755	6	118.5848	3.081	6	118.7814	1.538	31	118.6324	1.172	45	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6]-3:N[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Pt)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Pt<4>,1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Pt)(H){1|H<1>,2|C<3>,3|C<4>}	119.6456	1.276	10	119.6456	1.629	10	118.7814	1.538	31	118.6324	1.172	45	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3x6]-3:N[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Ru)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]C[6])(C[6]N[6]H){1|Ru<6>,1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(N[6]C[6]Ru)(H){1|H<1>,2|C<3>,3|C<4>}	118.0743	0.606	4	118.0743	0.367	4	118.7814	1.538	31	118.6324	1.172	45	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]CH)(N[6]C[6]Re)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Re<6>,1|C<3>,4|C<4>,4|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]CH)(N[6]C[6]Re){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	118.5510	0.000	1	118.5510	0.000	1	118.3025	0.246	14	118.6324	1.172	45	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<5>,1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){1|C<3>,3|C<4>,3|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<4>}	118.0635	0.328	4	118.2536	0.314	9	118.3025	0.246	14	118.6324	1.172	45	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<5>,1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	118.3563	0.969	3	118.2536	0.314	9	118.3025	0.246	14	118.6324	1.172	45	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<6>,1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Mn){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	118.4795	0.169	2	118.2536	0.314	9	118.3025	0.246	14	118.6324	1.172	45	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6,6]-4:N[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Re)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Re<6>,1|C<3>,3|C<4>,5|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(N[6]C[6]Re){2|C<3>,2|C<4>,3|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	118.3505	0.447	4	118.3505	0.199	4	118.3025	0.246	14	118.6324	1.172	45	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:2:	3:3:1:	C[5,3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-2:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6])	C[6](C[3x6]C[5,3x6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<2>,4|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[3x6]C[5,3x6]C[6])(C[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[3x6]C[5,3x6]C[3x6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	120.4100	0.000	1	120.4100	0.000	1	120.4100	0.000	1	120.4100	0.000	1	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[3x6]-3:O-1:	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O)	C[6](C[3x6]C[3x6]2)2(O)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[3x6]C[3x6]2)2(O){2|C<4>,2|H<1>,5|C<3>}	122.2892	0.423	10	122.2892	0.179	10	122.2892	0.179	10	121.9367	0.627	23	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>}	121.4545	0.606	4	121.4545	0.367	4	121.8781	0.473	8	121.9367	0.627	23	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:H-1:	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	122.3017	0.508	4	122.3017	0.258	4	121.8781	0.473	8	121.9367	0.627	23	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|C<3>,2|H<1>,3|C<4>}	122.1220	0.844	2	122.1220	0.713	2	121.3252	1.435	5	121.9367	0.627	23	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	120.1330	0.000	1	120.1330	0.000	1	121.3252	1.435	5	121.9367	0.627	23	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|H<1>,2|C<4>,3|C<3>}	120.0630	0.000	1	120.0630	0.000	1	121.3252	1.435	5	121.9367	0.627	23	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	122.1860	0.000	1	122.1860	0.000	1	121.3252	1.435	5	121.9367	0.627	23	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:3:	4:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[5,6]-4:C[3x6]-3:H-1:	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H)	C[6](C[5,6]C[5,6]C[5]Hf)(C[3x6]C[3x6]2)(H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H){1|Hf<12>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H){1|Hf<12>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[3x6]C[3x6]2)(H){1|H<1>,3|C<3>,4|C<4>}	122.1680	0.000	1	121.9395	0.104	2	121.9395	0.104	2	121.9395	0.104	2	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:3:	4:3:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[5,6]-4:C[3x6]-3:H-1:	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H)	C[6](C[5,6]C[5,6]C[5]Hf)(C[3x6]C[3x6]2)(H)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H){1|Hf<12>,2|C<4>,2|H<1>,4|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[5,6]H){1|Hf<12>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[3x6]C[3x6]2)(H){2|H<1>,3|C<3>,3|C<4>}	121.7110	0.000	1	121.9395	0.104	2	121.9395	0.104	2	121.9395	0.104	2	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:4:	3:2:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:O[6]-2:O-1:	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[6](C[3x6]C[3x6]2)(O[6]C[6])(O)	C[3x6](C[3x6]C[3x6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){2|C<3>,3|C<4>,3|H<1>}	C[3x6](C[4x6]C[3x6]C[4x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[3x6]C[3x6]2)(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	121.9260	0.000	1	121.9260	0.000	1	122.0180	0.017	2	122.0180	0.017	2	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:4:	3:2:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[4x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:O[6]-2:O-1:	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O)	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[6](C[3x6]C[3x6]2)(O[6]C[6])(O)	C[3x6](C[3x6]C[6,6]O[6,6]H)(C[3x6]C[4x6]C[6])(C[6]O[6]O){4|C<4>,4|H<1>}	C[3x6](C[4x6]C[3x6]C[6,6]2)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|O<1>,3|C<4>,4|O<2>,6|H<1>}	C[6](C[3x6]C[3x6]2)(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	122.1100	0.000	1	122.1100	0.000	1	122.0180	0.017	2	122.0180	0.017	2	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[3x6]	C[6]	4:3:3:	4:3:4:	3:4:1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-4:	C[3x6]-3:C[6]-4:O-1:	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH)	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(O)	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,4|C<4>,7|H<1>}	C[3x6](C[3x6]C[4,6,6]C[5,6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]HH)(O){3|H<1>,4|C<4>}	122.1500	0.000	1	122.1500	0.000	1	122.1500	0.000	1	122.1500	0.000	1	119.5556	3.281	115	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[4x6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]C)(O)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	121.2860	0.000	1	121.2860	0.000	1	121.3335	0.005	2	121.3335	0.005	2	121.3335	0.005	2	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[4x6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[3x6]-3:C[6]-3:O-1:	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|N<2>,2|H<1>,5|C<3>}	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	121.3810	0.000	1	121.3810	0.000	1	121.3335	0.005	2	121.3335	0.005	2	121.3335	0.005	2	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:	3:4:3:	3:3:2:	C[6,6]-3:C[6,6]-3:C[6,6]-3:	C[3x6]-3:C[6]-4:C[6]-3:	C[3x6]-3:C[6]-3:O[6]-2:	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]C)(O[6]C[6])	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]C)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	118.7280	0.086	2	118.8893	0.088	4	118.8893	0.088	4	118.8893	0.088	4	119.8776	1.726	13	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:	3:4:3:	3:3:2:	C[6,6]-3:C[6,6]-3:C[6,6]-3:	C[3x6]-3:C[6]-4:C[6]-3:	C[3x6]-3:C[6]-3:O[6]-2:	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]C)(O[6]C[6])	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]C)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.0505	0.390	2	118.8893	0.088	4	118.8893	0.088	4	118.8893	0.088	4	119.8776	1.726	13	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:	C[3x6]-3:C[6]-4:C[6]-3:	C[3x6]-3:C[6]-4:C[6]-3:	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	122.1955	0.441	2	122.1955	0.194	2	122.1955	0.194	2	122.1955	0.194	2	119.8776	1.726	13	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	3:3:3:	3:4:4:	3:4:3:	C[6,6]-3:C[6,6]-3:N[6,6]-3:	C[3x6]-3:C[6]-4:C[6]-4:	C[3x6]-3:C[6]-4:C[6]-3:	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H)	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2){10|H<1>,1|N<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]N[6]H)(C[6]C[6]HH){1|B<3>,1|N<3>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<4>}	119.9357	0.387	4	119.9357	0.150	4	119.9357	0.150	4	119.9357	0.150	4	119.8776	1.726	13	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:	3:3:2:	3:3:3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6a]-3:C[3x6]-3:O[6]-2:	C[3x6]-3:C[6]-3:C[6]-3:	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]O[6])(C[6,6]C[6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)(O[6]C[3x6])	C[6,6](C[3x6]C[6,6]2)(C[6]C[6,6a]O)(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]O[6])(C[6,6]C[6]2){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[3x6]C[6,6]2)(O[6]C[3x6]){2|C<4>,2|H<1>,6|C<3>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	119.8776	1.726	13	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:	3:3:3:	3:3:3:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[5,6]-3:C[3x6]-3:C[6]-3:	C[3x6]-3:N[6]-3:C[6]-3:	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6])	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O)	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6]){1|H<1>,1|N<3>,2|O<1>,7|C<3>}	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O){1|N<3>,8|C<3>}	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O){7|C<3>}	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	118.1760	0.000	1	119.8776	1.726	13	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[3x6]	C[6,6]	C[6,6]	4:3:3:	3:4:4:	3:3:3:	C[3x6]-4:C[6,6]-3:C[6,6]-3:	C[3x6]-3:C[6,6]-4:C[6]-4:	C[3x6]-3:C[6]-3:C[6]-3:	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH)	C[6,6](C[3x6]C[3x6]C[6,6])(C[6]O[6]H)(C[6]O[6]O)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<1>,3|C<4>,5|O<2>,7|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6])(C[6,6]C[4x6]O[6]H)(C[6]O[6]HH){4|C<3>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6])(C[6]O[6]H)(C[6]O[6]O){5|C<4>}	121.2540	0.000	1	121.2540	0.000	1	121.2540	0.000	1	121.2540	0.000	1	119.8776	1.726	13	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	4:3:3:	4:3:3:	3:2:3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[4x6]-3:N[6]-2:C[6]-3:	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H){2|C<4>,5|C<3>}	122.3770	0.000	1	122.9800	0.727	2	122.9800	0.727	2	122.9800	0.727	2	122.9800	0.727	2	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[4x6]	C[3x6]	C[6,6]	4:3:3:	4:3:3:	3:2:3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[4x6]-3:N[6]-2:C[6]-3:	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|N<2>,2|H<1>,5|C<3>}	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	123.5830	0.000	1	122.9800	0.727	2	122.9800	0.727	2	122.9800	0.727	2	122.9800	0.727	2	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6,6]	3:3:3:	3:3:3:	4:3:3:	C[3x6]-3:C[6,6]-3:C-3:	C[3x6]-3:C[3x6]-3:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)	C[6,6](C[3x6]C[3x6]2C)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO){1|C<1>,2|C<2>,2|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C){1|C<3>,1|C<4>,4|C<2>}	C[6,6](C[3x6]C[3x6]2C)(C[6,6]C[3x6]C)(COO){2|C<2>,2|C<3>}	113.3400	0.000	1	113.3400	0.000	1	113.8875	0.600	2	113.8875	0.600	2	113.8875	0.600	2	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6,6]	3:3:3:	3:3:3:	4:3:3:	C[3x6]-3:C[6,6]-3:C-3:	C[3x6]-3:C[3x6]-3:C[6,6]-3:	C[3x6]-4:C[6,6]-3:C-3:	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO)	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C)	C[6,6](C[3x6]C[3x6]2Cl)(C[6,6]C[3x6]C)(COO)	C[6,6](C[3x6]C[3x6]2)(C[6,6]C[3x6]C)(COO){1|Cl<1>,2|C<2>,2|C<3>}	C[3x6](C[3x6]C[3x6]C[6])2(C[6,6]C[6,6]C){1|C<3>,1|C<4>,4|C<2>}	C[6,6](C[3x6]C[3x6]2Cl)(C[6,6]C[3x6]C)(COO){2|C<2>,2|C<3>}	114.4350	0.000	1	114.4350	0.000	1	113.8875	0.600	2	113.8875	0.600	2	113.8875	0.600	2	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[3x6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]C)(O[6]C[6])	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2	C[6](C[6,6]C[3x6]O[6])(C[6]C[6]O)(CH3)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]C)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]O[6])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	122.3490	0.010	2	122.3490	0.000	2	122.3490	0.000	2	122.3490	0.000	2	120.2039	2.329	14	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[3x6]-3:C[6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[3x6]C[3x6]C[6,6])(C[6]O[6]H)(C[6]O[6]O)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H)	C[6,6](C[3x6]C[3x6]C[6,6])(C[6]O[6]H)(C[6]O[6]O){5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<1>,3|C<4>,5|O<2>,7|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	121.3240	0.000	1	121.3240	0.000	1	121.3240	0.000	1	120.6345	0.951	2	120.2039	2.329	14	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[3x6]-3:C[6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[3x6]C[3x6]C[6,6])(C[6]O[6]H)(C[6]O[6]O)	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O)	C[6,6](C[3x6]C[3x6]C[6,6])(C[6]O[6]H)(C[6]O[6]O){5|C<4>}	C[3x6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<1>,3|C<4>,5|O<2>,7|H<1>}	C[6](C[6,6]C[3x6]C[6])(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.9450	0.000	1	119.9450	0.000	1	119.9450	0.000	1	120.6345	0.951	2	120.2039	2.329	14	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[3x6]C[6,6]2)(C[6]C[6,6a]O)(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]O[6])(C[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]O[6])(C[6,6]C[6]2){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	119.5840	0.000	1	119.5840	0.000	1	119.5840	0.000	1	120.2567	5.290	3	120.2039	2.329	14	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[3x6]-3:N[6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6])	C[6](C[6,6]C[3x6]N[6])(N[6]C[6a]C[6])(O)	C[6,6](C[3x6]C[5,6,6]C[6,6])(N[6]C[6,6a]H)(C[6]N[6]O){7|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6]){1|H<1>,1|N<3>,2|O<1>,7|C<3>}	C[6](C[6,6]C[3x6]N[6])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	122.8180	0.000	1	122.8180	0.000	1	122.8180	0.000	1	120.2567	5.290	3	120.2039	2.329	14	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6]-3:C[3x6]-3:C[6]-3:	C[5,6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O)	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6])	C[6](C[6,6]C[3x6]C[5,6])(N[6]C[6a]C[6])(O)	C[6,6](C[5,6]C[5,6,6a]C[5,6a])(C[3x6]C[5,6,6]C[6,6])(C[6]N[6]O){1|N<3>,8|C<3>}	C[3x6](C[5,6,6]C[5,6,6a]C[5,6a]C[6,6a])(C[6,6]C[5,6]C[6])(C[6,6]C[6]N[6]){1|H<1>,1|N<3>,2|O<1>,7|C<3>}	C[6](C[6,6]C[3x6]C[5,6])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,5|C<3>}	118.3680	0.000	1	118.3680	0.000	1	118.3680	0.000	1	120.2567	5.290	3	120.2039	2.329	14	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[3x6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[3x6]C[6,6]2)(C[6]C[6,6a]O)(C[6]C[6]O)	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]O[6])(C[6,6]C[6]2)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6,6a]O)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6a]O[6])(C[6,6]C[6]2){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	120.3510	0.000	1	120.3510	0.000	1	120.3510	0.000	1	120.3510	0.000	1	120.2039	2.329	14	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6]	3:3:4:	4:4:3:	3:3:1:	C[3x6]-3:C[6]-3:C[6]-4:	C[4,4,6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[3x6](C[4,4,6,6]C[3x4,6]C[3x4]C[6,6])(C[6,6]C[6]2C)(C[6,6]C[6]2)	C[6](C[6,6]C[3x6]C[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC){1|C<3>,2|H<1>,6|C<4>}	C[3x6](C[4,4,6,6]C[3x4,6]C[3x4]C[6,6])(C[6,6]C[6]2C)(C[6,6]C[6]2){1|C<2>,1|C<3>,2|H<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6,6]C[6,6]C[6])(H){9|C<4>}	118.9250	0.000	1	118.9250	0.000	1	118.9250	0.000	1	118.9250	0.000	1	120.2039	2.329	14	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6]	3:4:3:	3:3:3:	3:3:2:	C[3x6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(OH)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(OH){1|H<1>,2|C<3>,3|C<4>}	118.7635	0.023	2	118.7635	0.001	2	118.7635	0.001	2	118.7635	0.001	2	120.2039	2.329	14	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6]	3:4:3:	3:3:3:	3:4:1:	C[3x6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[3x6](C[6,6]C[6]O[6])(C[6,6]C[6]2)2{1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]HH)(O){2|C<3>,2|H<1>,3|C<4>}	120.4305	0.432	2	120.4305	0.187	2	120.4305	0.187	2	120.4305	0.187	2	120.2039	2.329	14	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[3x6]	C[6]	3:4:3:	4:3:4:	3:2:1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[3,6,6]-4:C[6,6]-3:C[6,6]-4:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6,6]C[6,6]C[6]O)(C[6]O[6]O)	C[3x6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C)	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(O)	C[6,6](C[3x6]C[3,6,6]C[6,6])(C[6,6]C[6,6]C[6]O)(C[6]O[6]O){1|C<3>,1|H<1>,2|O<2>,7|C<4>}	C[3x6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2C){1|C<3>,1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[3x6]C[6,6])(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.4540	0.000	1	118.4540	0.000	1	118.4540	0.000	1	118.4540	0.000	1	120.2039	2.329	14	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[4x6]	C[6]	3:2:3:	4:3:3:	3:3:1:	C[4x6]-3:N[6]-2:C[6]-3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]C)(H)	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H){2|C<4>,5|C<3>}	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>}	116.7100	0.000	1	116.7100	0.000	1	116.1380	0.654	2	116.1380	0.654	2	116.1380	0.654	2	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[4x6]	C[6]	3:2:3:	4:3:3:	3:3:1:	C[4x6]-3:N[6]-2:C[6]-3:	C[4x6]-4:C[3x6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H)	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6])	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[4x6](C[4x6]C[6,6,6a]C[6,6a]C[6,6])(C[3x6]C[3x6]C[6])(C[6,6]C[6]N[6]){1|O<1>,3|H<1>,6|C<3>}	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	115.5660	0.000	1	115.5660	0.000	1	116.1380	0.654	2	116.1380	0.654	2	116.1380	0.654	2	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6a]O[6])(C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]B[6])	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6,6]N[6,6]C[6])(C[6]C[6,6a]O){1|B<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|F<1>,4|C<3>}	119.3860	0.617	2	119.3860	0.380	2	119.3860	0.380	2	119.5771	0.605	7	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){1|C<2>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){2|C<2>,2|C<3>,2|H<1>}	118.5240	0.000	1	119.0690	0.280	3	119.6536	0.786	5	119.5771	0.605	7	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){1|H<1>,2|C<2>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){1|C<3>,1|H<1>,3|C<2>}	119.1020	0.000	1	119.0690	0.280	3	119.6536	0.786	5	119.5771	0.605	7	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){2|C<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){1|C<2>,1|H<1>,3|C<3>}	119.5810	0.000	1	119.0690	0.280	3	119.6536	0.786	5	119.5771	0.605	7	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){1|C<2>,3|C<3>,3|H<1>}	120.5305	0.146	2	120.5305	0.021	2	119.6536	0.786	5	119.5771	0.605	7	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:2:2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6])2	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){1|C<3>,1|H<1>,3|C<2>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){1|H<1>,2|C<2>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6])2{1|Cd<6>,1|N<3>,2|C<3>}	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:N[6]-2:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]N[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<3>,2|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<2>,2|O<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]N[6]){1|O<1>,5|C<3>}	112.9980	0.000	1	112.9980	0.000	1	112.9980	0.000	1	116.2025	20.538	2	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	119.4070	0.000	1	119.4070	0.000	1	119.4070	0.000	1	116.2025	20.538	2	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<2>,2|O<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<3>,2|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,5|C<3>}	118.3600	0.000	1	118.3600	0.000	1	118.3600	0.000	1	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2{1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	119.4020	0.000	1	119.4020	0.000	1	119.4020	0.000	1	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]N[6])(N[6]C[6]Pd)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]N[6])(N[6]C[6]Pd)	C[6,6](C[6,6]C[6,6]N[6])(N[6]N[6]Yb)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]N[6])(N[6]C[6]Pd){1|Yb<12>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]N[6])(N[6]C[6]Pd){1|Yb<12>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(N[6]N[6]Yb)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	118.0300	0.266	2	117.9537	0.057	4	117.9537	0.057	4	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]N[6])(N[6]C[6]Pd)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]N[6])(N[6]C[6]Pd)	C[6,6](C[6,6]C[6,6]N[6])(N[6]N[6]Yb)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]N[6])(N[6]C[6]Pd){1|Yb<13>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]N[6])(N[6]C[6]Pd){1|Yb<13>,1|N<3>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(N[6]N[6]Yb)(C[6]C[6]H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	117.8775	0.279	2	117.9537	0.057	4	117.9537	0.057	4	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Co)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Co)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Co){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Co<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Co){1|O<1>,2|H<1>,4|C<3>}	121.0137	0.845	3	121.0137	0.714	3	121.2790	1.304	27	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){1|C<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2{1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){2|H<1>,4|C<3>}	119.6940	0.826	2	119.6940	0.682	2	121.2790	1.304	27	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Hg)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Hg)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Hg){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Hg<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Hg){1|O<1>,2|H<1>,4|C<3>}	121.3417	0.733	4	121.3417	0.537	4	121.2790	1.304	27	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn){1|O<1>,2|H<1>,4|C<3>}	121.3708	0.799	4	121.3114	0.496	5	121.2790	1.304	27	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<7>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn){1|O<1>,2|H<1>,4|C<3>}	121.0740	0.000	1	121.3114	0.496	5	121.2790	1.304	27	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Pt<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt){1|O<1>,2|H<1>,4|C<3>}	123.0780	1.027	2	123.0780	1.054	2	121.2790	1.304	27	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Re)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Re)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Re){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Re<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Re){1|O<1>,2|H<1>,4|C<3>}	122.2250	1.191	2	122.2250	1.418	2	121.2790	1.304	27	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru){2|H<1>,5|C<3>}	119.3110	0.000	1	119.9360	0.781	2	121.2790	1.304	27	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru){2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru){1|C<4>,2|H<1>,4|C<3>}	120.5610	0.000	1	119.9360	0.781	2	121.2790	1.304	27	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ru<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru){1|O<1>,2|H<1>,4|C<3>}	121.8150	0.000	1	121.8150	0.000	1	121.2790	1.304	27	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Zn)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Zn)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Zn){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Zn){1|O<1>,2|H<1>,4|C<3>}	121.3147	1.227	6	121.3147	1.507	6	121.2790	1.304	27	120.7306	2.514	33	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	118.9240	0.000	1	118.9240	0.000	1	118.9240	0.000	1	118.9240	0.000	1	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:N[6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6]Pt)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt)	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6]Pt)(C[6,6]C[6]2){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH){1|Pt<4>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt){1|C<4>,3|C<3>,4|H<1>}	124.1235	0.875	2	124.1235	0.765	2	124.1235	0.765	2	122.0450	6.047	4	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:N[6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6a]Cu)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6a]Cu)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6a]Cu)(C[6,6]C[6]2){1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH){1|Cu<4>,1|N<3>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6a]Cu)(C[6,6]C[6]2){1|C<4>,2|H<1>,5|C<3>}	119.9665	0.310	2	119.9665	0.096	2	119.9665	0.096	2	122.0450	6.047	4	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:4:3:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]O[6])(C[6]S[6]HH)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]S[6]HH)(C[6]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<2>,2|S<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]O[6])(C[6]S[6]HH){1|C<4>,5|C<3>}	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]S[6]HH)(C[6]O[6]C){1|C<4>,3|C<3>}	120.0720	0.000	1	120.0720	0.000	1	120.0720	0.000	1	120.0720	0.000	1	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:4:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6]Pt)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt){1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6]Pt)(C[6,6]C[6]2){1|C<4>,2|H<1>,5|C<3>}	120.2895	1.826	2	120.2895	3.336	2	120.2895	3.336	2	120.2895	3.336	2	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	3:4:3:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-4:N[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H)	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O){2|C<4>,2|S<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]S[6]H)(N[6]C[6,6a]H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	118.7340	0.000	1	118.7340	0.000	1	118.7340	0.000	1	118.7340	0.000	1	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	4:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[3,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[3,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Cu)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[3,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Cu)	C[6,6](C[6,6]C[3,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Cu){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[3,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Cu){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	120.7790	0.049	2	120.7790	0.002	2	120.7790	0.002	2	122.0543	1.253	6	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:3:	4:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[5,5,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Co)	C[6,6](C[5,5,6]C[5,5,6]N[5]2)(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,5,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Co)	C[6,6](C[6,6]C[5,5,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Co){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6,6](C[5,5,6]C[5,5,6]N[5]2)(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Co<7>,3|H<1>,3|N<3>,4|C<3>}	C[6,6](C[6,6]C[5,5,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Co){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	122.6920	0.679	4	122.6920	0.461	4	122.6920	0.461	4	122.0543	1.253	6	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:4:	3:3:3:	3:3:2:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]O[6])(C[6]S[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6])	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6a]O[6])(C[6]S[6]HH){1|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<2>,2|S<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]C[6]){1|S<2>,3|H<1>,5|C<3>}	118.1030	0.000	1	118.1030	0.000	1	118.1030	0.000	1	118.1030	0.000	1	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:4:	3:4:4:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	121.1530	0.000	1	121.1530	0.000	1	121.3295	0.062	2	121.3295	0.062	2	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:4:	3:4:4:	4:3:3:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){4|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]HH){1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|C<4>,7|H<1>}	121.5060	0.000	1	121.5060	0.000	1	121.3295	0.062	2	121.3295	0.062	2	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6,6]	3:3:4:	4:3:4:	3:4:3:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6a]C[6]H){3|C<3>,4|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	121.6180	0.000	1	121.6180	0.000	1	121.6180	0.000	1	121.6180	0.000	1	120.5612	3.530	62	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	3:3:2:	3:3:1:	C[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(O[6]C[6,6a])	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[6]O[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H){1|N<3>,1|O<2>,3|C<3>}	116.2240	0.000	1	116.2240	0.000	1	116.2240	0.000	1	116.4445	0.097	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	3:3:2:	3:3:1:	C[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(S[6]C[6,6a])	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H){1|N<3>,1|S<2>,3|C<3>}	116.6650	0.000	1	116.6650	0.000	1	116.6650	0.000	1	116.4445	0.097	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(O[6]C[5,6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(O[6]C[5,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>}	120.5585	0.290	4	120.5585	0.084	4	120.5585	0.084	4	121.1154	1.614	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	3:3:3:	3:3:1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H){3|C<3>}	123.3430	0.000	1	123.3430	0.000	1	123.3430	0.000	1	121.1154	1.614	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	3:3:3:	3:4:1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]CC)(H){2|H<1>,3|C<3>}	124.2280	0.000	1	124.2280	0.000	1	124.2280	0.000	1	124.2280	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	3:3:3:	4:3:4:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O)	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]2){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]O[6])(C[6]C[6]CC){2|H<1>,7|C<3>}	125.4500	0.000	1	125.4500	0.000	1	125.4500	0.000	1	125.4500	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	3:3:4:	3:3:1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C)(H){1|C<4>,2|C<3>}	121.3540	0.000	1	121.3540	0.000	1	121.3540	0.000	1	121.3540	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	3:3:4:	3:4:1:	C[6,6]-3:S[6]-2:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O)	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(S[6]C[6,6a])(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a]H)(C[6]C[6]HH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,3|C<4>}	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	121.5890	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	3:4:3:	3:3:1:	C[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	119.0340	0.253	2	119.0340	0.064	2	119.0340	0.064	2	120.0420	3.080	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	3:4:3:	3:3:1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2)(O[6]C[3x6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2)(O[6]C[3x6])(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	122.0580	0.000	1	122.0580	0.000	1	122.0580	0.000	1	120.0420	3.080	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	4:3:2:	3:3:1:	C[6,6]-3:O[6]-2:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6]C[6]O[6])(C[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H){2|N<3>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6,6]C[6]O[6])(C[6]C[6]){1|N<2>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	123.4280	0.000	1	123.4280	0.000	1	123.4280	0.000	1	123.4280	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	4:3:4:	3:4:3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C){1|C<3>,1|N<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	122.9910	0.000	1	122.9910	0.000	1	123.4635	0.447	2	123.4635	0.447	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:2:3:	4:3:4:	3:4:3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	123.9360	0.000	1	123.9360	0.000	1	123.4635	0.447	2	123.4635	0.447	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:2:2:	3:2:2:	C[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:N-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]N)(N[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC)	C[6,6](C[6,6]C[6]2)(C[6]C[6]N)(N[6]C[6]){2|C<2>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2{1|N<2>,2|C<2>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NC){3|C<2>}	119.7780	0.777	3	119.7780	0.603	3	119.7780	0.603	3	119.7780	0.603	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:2:2:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:O[6]-2:C[6]-2:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){1|C<4>,2|C<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]){1|C<2>,1|N<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2){1|O<2>,3|C<2>,4|C<3>}	119.6430	0.000	1	119.0490	0.706	2	119.0490	0.706	2	119.0490	0.706	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:2:2:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:O[6]-2:C[6]-2:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){2|C<2>,4|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]){1|C<2>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2){1|O<2>,3|C<2>,4|C<3>}	118.4550	0.000	1	119.0490	0.706	2	119.0490	0.706	2	119.0490	0.706	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:2:2:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CH)(O){3|C<2>}	122.0050	0.000	1	122.0050	0.000	1	122.0050	0.000	1	122.0050	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:2:	3:2:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|N<3>,1|O<1>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(O){1|C<3>,1|N<3>,2|C<2>}	120.7110	0.000	1	120.7110	0.000	1	120.7110	0.000	1	120.7110	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6])	C[6](C[6,6]C[6,6]S[6])2(O)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6,6]C[6,6]S[6])2(O){1|C<3>,2|C<4>,2|S<2>}	119.4550	1.451	2	119.4550	2.105	2	119.4550	2.105	2	120.4130	1.550	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-3:S[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6a]O)(S[6]C[5,6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6a]O)(S[6]C[5,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6])(O)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6a]O)(S[6]C[5,6]){1|O<1>,1|S<2>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6a]O)(S[6]C[5,6]){1|O<1>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]S[6])(O){1|H<1>,1|S<2>,4|C<3>}	121.7410	0.096	2	121.7410	0.009	2	121.7410	0.009	2	120.4130	1.550	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6,6]-3:S[6]-2:	C[6,6]-3:N[6]-3:N[6]-2:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]N[6])	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]N[6]){1|C<4>,1|S<2>,2|C<3>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6]){1|H<1>,2|C<3>,2|N<2>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|N<3>,1|S<2>,3|N<2>}	120.0430	0.000	2	120.0430	0.000	2	120.0430	0.000	2	120.4130	1.550	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(ONi)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|N<3>,1|O<1>,2|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(ONi){1|C<3>,2|C<2>}	118.8130	0.000	1	118.8130	0.000	1	118.8130	0.000	1	118.8130	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>}	116.4900	0.000	1	117.0777	0.393	3	117.0032	0.210	6	118.2253	3.556	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){1|H<1>,2|C<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>}	117.7370	0.000	1	117.0777	0.393	3	117.0032	0.210	6	118.2253	3.556	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cd){2|C<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	117.0060	0.000	1	117.0777	0.393	3	117.0032	0.210	6	118.2253	3.556	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>}	116.9480	0.000	1	116.9287	0.115	3	117.0032	0.210	6	118.2253	3.556	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	116.9190	0.479	2	116.9287	0.115	3	117.0032	0.210	6	118.2253	3.556	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|I<2>,2|C<2>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){3|C<3>}	119.6410	0.000	1	119.6410	0.000	1	119.6410	0.000	1	118.2253	3.556	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]N[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]N[6]){1|O<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<3>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|H<1>,1|N<3>,4|C<3>}	122.1120	0.000	1	122.1120	0.000	1	122.1120	0.000	1	118.2253	3.556	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>}	120.4290	0.000	1	120.4290	0.000	1	120.4290	0.000	1	118.2253	3.556	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]B[6])	C[6,6](C[6,6]C[6]O[6])(N[6]C[6]Ir)(C[6]O[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]B[6]){1|Ir<6>,1|C<3>,1|H<1>,2|F<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(N[6]C[6]Ir)(C[6]O[6]O){1|B<4>,1|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	118.0520	0.000	1	118.0520	0.000	1	118.0520	0.000	1	118.2253	3.556	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[5a]-3:O[6]-2:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6])(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[5a]C[5a]2)(O[6]C[6,6a])	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6])(O[6]C[6]){3|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[5a]C[5a]2)(O[6]C[6,6a]){1|C<4>,1|S<2>,2|H<1>,4|C<3>}	123.2300	0.000	1	123.2300	0.000	1	123.2300	0.000	1	122.5560	0.786	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O[6]-2:	N[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6]O)(O[6]C[6])	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(OH)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6]O)(O[6]C[6]){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(OH){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	121.5520	0.000	1	121.5520	0.000	1	121.5520	0.000	1	122.5560	0.786	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O[6]-2:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6]O)(O[6]C[6])	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(OH)	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6]O)(O[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(OH){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	122.8860	0.000	1	122.8860	0.000	1	122.8860	0.000	1	122.5560	0.786	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|O<2>,2|C<4>,3|C<3>}	124.3810	0.000	1	124.3810	0.000	1	122.6920	0.891	6	122.6920	0.891	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	123.2330	0.000	1	123.2330	0.000	1	122.6920	0.891	6	122.6920	0.891	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]ClH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]ClH){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	122.0730	0.000	1	122.0730	0.000	1	122.6920	0.891	6	122.6920	0.891	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	122.3060	0.000	1	122.3060	0.000	1	122.6920	0.891	6	122.6920	0.891	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|N<4>,1|O<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HN){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	121.9680	0.000	1	121.9680	0.000	1	122.6920	0.891	6	122.6920	0.891	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]N[6]HH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	122.1910	0.000	1	122.1910	0.000	1	122.6920	0.891	6	122.6920	0.891	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]C)(H){1|C<3>,2|C<4>}	121.7320	0.000	1	121.7320	0.000	1	121.7320	0.000	1	122.4622	0.657	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O){1|Br<1>,1|C<3>,2|C<4>}	123.5850	0.000	1	123.5850	0.000	1	122.7057	0.630	3	122.4622	0.657	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	122.2660	0.317	2	122.2660	0.100	2	122.7057	0.630	3	122.4622	0.657	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:4:3:	3:3:2:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(OC){1|C<3>,1|O<1>,2|C<4>}	122.2620	0.000	1	122.2620	0.000	1	122.2620	0.000	1	122.2620	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	126.0780	0.424	3	125.7465	0.559	4	125.6036	0.522	5	124.6143	6.289	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	124.7520	0.000	1	125.7465	0.559	4	125.6036	0.522	5	124.6143	6.289	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,2|C<4>}	125.0320	0.000	1	125.0320	0.000	1	125.6036	0.522	5	124.6143	6.289	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(C[6]N[6]C)(O[6]B[6])	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C)	C[6](C[6,6]C[6,6]O[6])(N[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]N[6]C)(O[6]B[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]O[6])(N[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	119.6680	0.000	1	119.6680	0.000	1	119.6680	0.000	1	124.6143	6.289	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]B[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]O[6]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]Br2)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]B[6]){2|Br<1>,1|C<4>,2|F<1>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]O[6]O){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]Br2)(O){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	121.1450	0.000	1	121.1450	0.000	1	121.1450	0.000	1	121.1450	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-2:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(N[6]O[6])	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(N[6]O[6]){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	122.8561	1.295	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6]){1|Cr<9>,1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]H)(H){1|Cr<9>,1|C<3>,3|C<4>}	121.9010	0.000	1	122.8233	0.642	3	122.8233	0.642	3	122.8561	1.295	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6]){1|Cr<9>,2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]H)(H){1|Cr<9>,1|C<3>,3|C<4>}	123.3480	0.000	1	122.8233	0.642	3	122.8233	0.642	3	122.8561	1.295	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6])	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6]){1|Cr<9>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]H)(H){1|Cr<9>,1|C<3>,3|C<4>}	123.2210	0.000	1	122.8233	0.642	3	122.8233	0.642	3	122.8561	1.295	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[3,6])	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[3,6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	123.7900	0.000	1	123.7900	0.000	1	123.1719	0.434	11	122.8561	1.295	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a]){1|H<1>,1|O<1>,5|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	124.2350	0.000	1	124.2350	0.000	1	123.1719	0.434	11	122.8561	1.295	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	123.2960	0.000	1	122.9851	0.315	9	123.1719	0.434	11	122.8561	1.295	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	122.6710	0.051	2	122.9851	0.315	9	123.1719	0.434	11	122.8561	1.295	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	122.6343	0.731	3	122.9851	0.315	9	123.1719	0.434	11	122.8561	1.295	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<2>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	123.5945	0.128	2	122.9851	0.315	9	123.1719	0.434	11	122.8561	1.295	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|H<1>,2|C<4>,3|C<3>}	123.1360	0.000	1	122.9851	0.315	9	123.1719	0.434	11	122.8561	1.295	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:4:	3:4:1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(O){1|C<3>,2|C<4>,2|H<1>}	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:4:	3:4:3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]HH){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,2|H<1>}	125.6130	0.000	1	125.6130	0.000	1	125.1355	0.456	2	125.1355	0.456	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:2:	4:3:4:	3:4:3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH)	C[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CC[6a]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){2|C<3>,2|N<3>,5|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]N[6]HH){1|C<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]N[6]HH)(CC[6a]H){1|C<3>,3|C<4>}	124.6580	0.000	1	124.6580	0.000	1	125.1355	0.456	2	125.1355	0.456	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:2:2:	3:2:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6]-3:C[6]-2:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NPdC)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N){2|C<2>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6])2{1|Pd<4>,1|N<3>,2|C<2>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NPdC){3|C<2>}	120.4590	0.000	1	120.4590	0.000	1	120.4590	0.000	1	120.4590	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:2:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]N[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]B[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]B[6]){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<3>,1|O<2>,2|H<1>}	119.7880	0.000	1	119.7880	0.000	1	119.7880	0.000	1	119.7880	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:2:2:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:O[6]-2:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(C[6]O[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OCo)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(C[6]O[6]O){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]C[6]){1|C<3>,2|C<4>,3|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OCo){1|C<2>,1|C<4>,3|O<2>}	119.8750	0.000	1	119.8750	0.000	1	119.8750	0.000	1	119.8750	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:2:3:	3:2:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-2:H-1:	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H){1|N<3>,1|O<2>,3|C<3>}	115.8760	0.000	1	115.8760	0.000	1	115.8760	0.000	1	115.8760	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(N[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(O[6]C[5,6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(O[6]C[5,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	118.3862	1.005	4	118.3862	1.011	4	118.3862	1.011	4	118.3862	1.011	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:2:3:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]2){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	117.2840	0.000	1	117.2840	0.000	1	117.1405	0.041	2	117.1405	0.041	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:2:3:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	116.9970	0.000	1	116.9970	0.000	1	117.1405	0.041	2	117.1405	0.041	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:2:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6,6]-3:N[6]-2:	C[6,6]-3:N[6]-2:O-1:	C[6,6](C[6,6]N[6]2)(C[6]N[6]N)(C[6]N[6]O)	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(O)	C[6,6](C[6,6]N[6]2)(C[6]N[6]N)(C[6]N[6]O){1|C<4>,2|C<3>}	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(O){1|O<1>,2|N<2>,2|N<3>}	117.7610	0.000	1	117.7610	0.000	1	117.7610	0.000	1	117.7610	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:I-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(IC[6a])	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I){1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|I<2>,2|C<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(IC[6a]){1|C<3>,2|C<2>,2|H<1>}	116.7060	0.000	1	116.7060	0.000	1	116.7060	0.000	1	118.5385	6.716	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:O[6]-2:O-2:	C[6,6](C[6,6]C[6]O[6])(N[6]C[6]Ir)(C[6]O[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]B[6])	C[6](C[6,6]C[6,6]N[6])(O[6]B[6])(OIr)	C[6,6](C[6,6]C[6]O[6])(N[6]C[6]Ir)(C[6]O[6]O){1|B<4>,1|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]B[6]){1|Ir<6>,1|C<3>,1|H<1>,2|F<1>,2|O<2>}	C[6](C[6,6]C[6,6]N[6])(O[6]B[6])(OIr){1|O<2>,2|C<3>,2|F<1>}	120.3710	0.000	1	120.3710	0.000	1	120.3710	0.000	1	118.5385	6.716	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6,6]-3:N[6]-2:	C[6,6]-3:N[6]-2:N-3:	C[6,6](C[6,6]N[6]2)(C[6]N[6]N)(C[6]N[6]O)	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(NHH)	C[6,6](C[6,6]N[6]2)(C[6]N[6]N)(C[6]N[6]O){1|C<4>,2|C<3>}	C[6,6](N[6]C[5]C[6])(C[6,6]C[6]2)(N[6]C[6]){1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|N<2>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(NHH){1|H<1>,1|N<3>,1|O<1>,2|N<2>}	119.3460	0.000	1	119.3460	0.000	1	119.3460	0.000	1	119.3460	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6,6]N[6,6]C[6])(C[6]C[6,6a]O)	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]B[6])	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6,6]N[6,6]C[6])(C[6]C[6,6a]O){1|B<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]C[6])(O[6]B[6]){1|H<1>,1|N<3>,1|O<1>,2|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	118.4515	0.472	2	118.4515	0.222	2	118.4515	0.222	2	120.1693	4.175	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	118.5470	0.000	1	118.5470	0.000	1	118.5470	0.000	1	120.1693	4.175	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6])(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[5a]O[6])(O[6]C[6]){3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H){1|O<2>,2|H<1>,3|C<3>}	120.6270	0.000	1	120.6270	0.000	1	120.6270	0.000	1	120.1693	4.175	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6]O)(O[6]C[6])	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]C)(O)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6]O)(O[6]C[6]){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	123.2840	0.000	1	123.2840	0.000	1	123.2840	0.000	1	120.1693	4.175	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6]O)(O[6]C[6])	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(O)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6]O)(O[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	121.6550	0.000	1	121.6550	0.000	1	121.6550	0.000	1	120.1693	4.175	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	116.8910	0.000	1	116.8910	0.000	1	116.8910	0.000	1	120.0130	4.517	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:N[6]-3:O-2:	C[6,6](C[6,6]N[6]2)(N[6]C[6]Co)(C[6]N[6]O)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6])	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]H)(OCo)	C[6,6](C[6,6]N[6]2)(N[6]C[6]Co)(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6]){1|Co<6>,1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]H)(OCo){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	120.5420	0.000	1	120.5420	0.000	1	121.0537	0.278	3	120.0130	4.517	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6]-3:N[6]-3:O-2:	C[6,6](C[6,6]N[6]2)(N[6]C[6]Cu)(C[6]N[6]O)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6])	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]C)(OCu)	C[6,6](C[6,6]N[6]2)(N[6]C[6]Cu)(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6]C)(N[6]C[6]){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]N[6])(N[6]C[6]C)(OCu){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	121.3095	0.404	2	121.3095	0.163	2	121.0537	0.278	3	120.0130	4.517	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)2{1|C<3>,1|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,2|O<2>,3|C<3>}	121.1330	0.000	1	121.1330	0.000	1	121.1330	0.000	1	121.1330	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(H)	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(H){1|C<4>,4|C<3>}	119.0195	0.036	2	119.0195	0.001	2	119.0195	0.001	2	119.1028	0.229	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-2:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2{1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])(H){1|H<1>,1|N<3>,3|C<3>}	119.6840	0.000	1	119.1583	0.446	3	119.1583	0.446	3	119.1028	0.229	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-2:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2{1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6])(H){1|H<1>,1|N<3>,3|C<3>}	118.8955	0.691	2	119.1583	0.446	3	119.1583	0.446	3	119.1028	0.229	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NZnC)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]N){2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Zn<6>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6])(NZnC){1|H<1>,3|C<3>}	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	120.6300	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]O)(O)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]O)(O){1|N<3>,4|C<3>}	120.1280	0.000	1	120.1280	0.000	1	120.1280	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<2>,2|O<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,5|C<3>}	117.0980	0.000	1	117.0980	0.000	1	117.0980	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]O)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	122.8300	0.103	2	122.8300	0.011	2	118.6453	23.368	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]O[6]H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	114.4605	0.211	2	114.4605	0.045	2	118.6453	23.368	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]H)(H)	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]H)(H){1|O<1>,4|C<3>}	120.3190	0.000	1	120.3190	0.000	1	120.3190	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	120.8760	0.000	1	120.8760	0.000	1	120.8760	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.4430	0.000	1	116.2260	0.094	2	118.6063	2.329	28	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	116.0090	0.000	1	116.2260	0.094	2	118.6063	2.329	28	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Co)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Co<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Co){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	117.8203	0.129	3	117.8203	0.017	3	118.6063	2.329	28	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Hg)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Hg<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Hg){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.8468	1.274	4	119.8468	1.624	4	118.6063	2.329	28	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.3802	0.990	4	118.5202	0.833	5	118.6063	2.329	28	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<7>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.0800	0.000	1	118.5202	0.833	5	118.6063	2.329	28	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Pt<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.2040	0.578	2	119.2040	0.335	2	118.6063	2.329	28	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Re)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Re<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Re){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.7795	3.287	2	119.7795	10.807	2	118.6063	2.329	28	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ru<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.4360	0.000	1	118.4360	0.000	1	118.6063	2.329	28	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Zn)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Zn){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.2268	1.468	6	119.2268	2.156	6	118.6063	2.329	28	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2{1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){1|C<2>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.6890	0.000	1	117.1040	0.334	3	118.6063	2.329	28	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2{1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Cu){1|C<2>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	116.8115	0.394	2	117.1040	0.334	3	118.6063	2.329	28	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Co)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Co<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Co){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	120.6593	1.242	3	120.6593	1.542	3	120.2823	1.820	23	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Hg)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Hg<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Hg){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	120.6377	1.266	4	120.6377	1.604	4	120.2823	1.820	23	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	120.8065	0.795	4	120.8452	0.481	5	120.2823	1.820	23	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<7>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Mn){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	121.0000	0.000	1	120.8452	0.481	5	120.2823	1.820	23	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Pt<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	118.2235	1.259	2	118.2235	1.586	2	120.2823	1.820	23	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Re)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Re<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Re){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	120.2630	2.148	2	120.2630	4.615	2	120.2823	1.820	23	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ru<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	120.2080	0.000	1	120.2080	0.000	1	120.2823	1.820	23	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Zn)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Zn){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	120.0930	1.601	6	120.0930	2.563	6	120.2823	1.820	23	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])2(O){1|C<4>,2|H<1>,4|C<3>}	121.2870	0.000	1	120.7990	0.476	2	120.7990	0.476	2	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])2(O){1|C<4>,2|H<1>,4|C<3>}	120.3110	0.000	1	120.7990	0.476	2	120.7990	0.476	2	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	120.6790	0.000	1	120.6790	0.000	1	120.6790	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	119.0450	0.000	1	119.0450	0.000	1	117.4880	4.848	2	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	115.9310	0.000	1	115.9310	0.000	1	117.4880	4.848	2	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	119.5680	0.000	1	119.5680	0.000	1	119.5680	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ir<8>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.9900	0.000	1	118.9900	0.000	1	119.5046	1.358	5	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Os)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Os<9>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Os)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.1010	0.000	1	119.1010	0.000	1	119.5046	1.358	5	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Rh<8>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.0060	0.000	1	119.0060	0.000	1	119.5046	1.358	5	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ru<9>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.8430	0.000	1	118.8430	0.000	1	119.5046	1.358	5	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pt)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Pt<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pt)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.5830	0.000	1	121.5830	0.000	1	119.5046	1.358	5	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ir<8>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	118.6960	0.000	1	118.6960	0.000	1	118.7620	0.153	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Os)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Os<9>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Os)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	118.5880	0.000	1	118.5880	0.000	1	118.7620	0.153	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Rh<8>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	119.3270	0.000	1	119.3270	0.000	1	118.7620	0.153	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ru<9>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	118.4370	0.000	1	118.4370	0.000	1	118.7620	0.153	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H){1|Co<6>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|N<3>}	115.6380	0.281	2	115.6380	0.079	2	116.8695	2.169	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Pt)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<5>,1|Pt<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Pt){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	117.6760	0.000	1	118.1010	0.361	2	116.8695	2.169	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Pt)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<5>,1|Pt<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)(N[6]C[6]Pt){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	118.5260	0.000	1	118.1010	0.361	2	116.8695	2.169	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	119.5440	0.331	5	119.5440	0.109	5	119.5440	0.109	5	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[6]2)(N[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|H<1>,1|N<3>,3|C<3>}	119.3798	0.393	5	119.3798	0.154	5	119.3798	0.154	5	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	123.9370	0.000	1	123.9370	0.000	1	123.9370	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(N[6]C[6]Ir)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H)	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2{1|Ir<8>,1|H<1>,4|C<3>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(N[6]C[6]Ir){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	117.0620	0.000	1	117.0620	0.000	1	115.7671	5.550	7	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(N[6]C[6]Ir)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2{1|Ir<8>,1|H<1>,4|C<3>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(N[6]C[6]Ir){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	117.3100	0.000	1	117.3100	0.000	1	115.7671	5.550	7	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(N[6]C[6]Pd)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H)	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2{1|Pd<4>,1|H<1>,4|C<3>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(N[6]C[6]Pd){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	117.9420	0.320	2	117.9420	0.102	2	115.7671	5.550	7	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[5,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(N[6]C[6]Pd)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2{1|Pd<4>,1|H<1>,4|C<3>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(N[6]C[6]Pd){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	113.3713	1.109	3	113.3713	1.230	3	115.7671	5.550	7	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[5a,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Rh)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H)	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2{1|Rh<6>,1|H<1>,4|C<3>}	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Rh){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	117.4760	0.000	1	117.4760	0.000	1	116.9582	0.714	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[5a,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Rh)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2{1|Rh<6>,1|H<1>,4|C<3>}	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Rh){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	116.3230	0.000	1	116.3230	0.000	1	116.9582	0.714	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[5a,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H)	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2{1|Ru<8>,1|H<1>,4|C<3>}	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Ru){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	117.8720	0.000	1	117.8720	0.000	1	116.9582	0.714	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	N[5a,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2{1|Ru<8>,1|H<1>,4|C<3>}	C[6,6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6]2)(N[6]C[6]Ru){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	116.1620	0.000	1	116.1620	0.000	1	116.9582	0.714	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|O<1>}	120.4280	0.486	2	120.4280	0.237	2	120.4280	0.237	2	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.3870	0.000	1	122.3870	0.000	1	122.3870	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6a]N[6])(C[6]C[6,6a]O){1|N<2>,1|O<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<2>,2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|H<1>,1|N<2>,5|C<3>}	122.9430	0.000	1	122.9430	0.000	1	122.9430	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(N[6]N[6]Yb)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]N[6])(N[6]C[6]Pd)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(N[6]N[6]Yb)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]N[6])(N[6]C[6]Pd){1|Yb<12>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|Yb<12>,1|C<3>,1|H<1>,2|N<3>}	117.7855	1.105	2	117.3893	0.623	4	117.3893	0.623	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(N[6]N[6]Yb)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]N[6])(N[6]C[6]Pd)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(N[6]N[6]Yb)(C[6]C[6]H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]N[6])(N[6]C[6]Pd){1|Yb<13>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|Yb<13>,1|C<3>,1|H<1>,2|N<3>}	116.9930	0.139	2	117.3893	0.623	4	117.3893	0.623	4	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pt)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pt)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Pt<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,3|C<3>}	116.7550	0.000	1	116.7550	0.000	1	116.7550	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6a]-3:C[6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6a]-3:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6a]C[6,6a]C[6a])(O){1|H<1>,6|C<3>}	118.9030	0.000	1	118.9030	0.000	1	118.9030	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	120.2960	0.000	1	120.2960	0.000	1	120.3357	0.020	3	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|H<1>,2|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	120.2190	0.000	1	120.2190	0.000	1	120.3357	0.020	3	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<3>}	120.4920	0.000	1	120.4920	0.000	1	120.3357	0.020	3	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|H<1>,2|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	119.4320	0.000	1	119.4320	0.000	1	119.4320	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]N[6]2)(C[6]C[6]H)	C[6,6](N[6]C[6,6a]Rh)(C[6,6]C[6]2)(N[6]C[6]Rh)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]N[6]2)(C[6]C[6]H){1|Rh<4>,1|Rh<5>,1|H<1>,5|C<3>}	C[6,6](N[6]C[6,6a]Rh)(C[6,6]C[6]2)(N[6]C[6]Rh){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|N<3>,3|C<3>}	115.9360	0.000	1	115.9360	0.000	1	115.9360	0.000	1	118.9729	4.332	115	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OIr)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ir<8>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OIr){1|O<1>,3|C<3>}	123.3330	0.000	1	123.3330	0.000	1	123.0175	0.173	4	122.2442	3.120	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Os)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OOs)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Os)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Os<9>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OOs){1|O<1>,3|C<3>}	123.1700	0.000	1	123.1700	0.000	1	123.0175	0.173	4	122.2442	3.120	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORh)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Rh<8>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORh){1|O<1>,3|C<3>}	122.4050	0.000	1	122.4050	0.000	1	123.0175	0.173	4	122.2442	3.120	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORu)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ru<9>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORu){1|O<1>,3|C<3>}	123.1620	0.000	1	123.1620	0.000	1	123.0175	0.173	4	122.2442	3.120	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OC)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|H<1>,2|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OC){1|H<1>,1|O<1>,3|C<3>}	119.1510	0.000	1	119.1510	0.000	1	119.1510	0.000	1	122.2442	3.120	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru){2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH){1|H<1>,1|N<3>,3|C<3>}	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	118.9580	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Ru){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	119.5970	0.000	1	119.5970	0.000	1	119.5970	0.000	1	119.5970	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HN)(H){1|H<1>,1|O<1>,3|C<3>}	119.6760	0.000	1	119.6760	0.000	1	119.6760	0.000	1	119.7453	0.714	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	120.6230	0.000	1	120.6230	0.000	1	120.6230	0.000	1	119.7453	0.714	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]OO)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|O<1>,2|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]OO)(O){1|O<1>,4|C<3>}	118.9370	0.000	1	118.9370	0.000	1	118.9370	0.000	1	119.7453	0.714	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(COO)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	120.9540	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O)	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>,2|S<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.5570	0.000	1	122.5570	0.000	1	122.5570	0.000	1	121.4682	1.008	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O)	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>,2|S<2>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	121.2100	0.000	1	121.2100	0.000	1	121.2100	0.000	1	121.4682	1.008	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-3:S[6]-4:	C[5a,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5a,6]O)(S[6]C[6]OO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(O)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,3|O<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[5a,6]O)(S[6]C[6]OO){1|O<1>,2|H<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6,6]C[6,6]N[6])(O){1|S<4>,2|H<1>,4|C<3>}	121.9965	0.575	2	121.9965	0.330	2	121.9965	0.330	2	121.4682	1.008	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]OV)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|V<7>,2|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]OV){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,1|V<7>,2|C<3>}	119.8650	0.000	1	119.8650	0.000	1	120.2530	0.113	3	121.4682	1.008	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]OW)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|W<10>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]OW){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|W<10>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	120.4250	0.000	1	120.4250	0.000	1	120.2530	0.113	3	121.4682	1.008	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,1|O<1>,2|C<3>}	120.4690	0.000	1	120.4690	0.000	1	120.2530	0.113	3	121.4682	1.008	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]OV)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|V<7>,2|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]OV){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	121.4490	0.000	1	121.4490	0.000	1	121.6090	0.051	2	121.4682	1.008	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]OW)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|W<10>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]OW){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	121.7690	0.000	1	121.7690	0.000	1	121.6090	0.051	2	121.4682	1.008	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|C<4>,2|H<1>,4|C<3>}	122.9450	0.000	1	122.9450	0.000	1	122.9450	0.000	1	121.4682	1.008	10	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.7945	1.095	2	119.7945	1.200	2	119.7945	1.200	2	120.7987	3.625	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(H){1|Ge<2>,1|C<4>,2|C<3>,2|H<1>}	122.8070	0.000	1	122.8070	0.000	1	122.8070	0.000	1	120.7987	3.625	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N-3:	C[6,6](N[6]C[6,6]Co)(C[6,6]C[6]2)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Co)	C[6,6](N[6]C[6,6]Co)(C[6,6]C[6]2)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Co<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Co){1|C<4>,2|C<3>,2|H<1>}	121.4480	0.000	1	121.4480	0.000	1	123.9062	2.593	8	123.9062	2.593	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N-3:	C[6,6](N[6]C[6,6]Fe)(C[6,6]C[6]2)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe)	C[6,6](N[6]C[6,6]Fe)(C[6,6]C[6]2)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Fe<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe){1|C<4>,2|C<3>,2|H<1>}	124.5642	1.208	6	124.5642	1.458	6	123.9062	2.593	8	123.9062	2.593	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:4:3:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:N-3:	C[6,6](N[6]C[6,6a]Fe)(C[6,6]C[6]2)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe)	C[6,6](N[6]C[6,6a]Fe)(C[6,6]C[6]2)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]H)(C[6]C[6]HH){1|Fe<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe){1|C<4>,2|C<3>,2|H<1>}	122.4170	0.000	1	122.4170	0.000	1	123.9062	2.593	8	123.9062	2.593	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]O)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|O<1>}	119.4090	0.065	2	119.4090	0.004	2	118.9757	0.565	3	118.9757	0.565	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]H)(H){1|O<1>,1|O<2>,4|C<4>}	118.1090	0.000	1	118.1090	0.000	1	118.9757	0.565	3	118.9757	0.565	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[3x6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3x6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[3x6]H)(C[6]C[6]O){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.6830	0.000	1	119.6830	0.000	1	119.8245	0.040	2	119.3403	0.723	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	119.9660	0.000	1	119.9660	0.000	1	119.8245	0.040	2	119.3403	0.723	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	118.3720	0.000	1	118.3720	0.000	1	118.3720	0.000	1	119.3403	0.723	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,3|C<3>}	115.4230	0.000	1	113.7134	1.118	5	115.0507	9.435	7	117.8459	14.765	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){2|C<3>,2|C<4>}	113.2860	0.523	4	113.7134	1.118	5	115.0507	9.435	7	117.8459	14.765	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.6220	0.000	1	121.6220	0.000	1	115.0507	9.435	7	117.8459	14.765	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	115.1660	0.000	1	115.1660	0.000	1	115.0507	9.435	7	117.8459	14.765	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.3380	0.000	1	121.3380	0.000	1	121.3380	0.000	1	117.8459	14.765	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	118.1655	0.455	2	118.1655	0.207	2	118.1655	0.207	2	117.8459	14.765	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[6a]O[6])(C[6]C[6,6]HH)(C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]O[6])(C[6]C[6,6]HH)(C[6,6]C[6]2){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,3|C<3>}	115.2390	0.000	1	115.2390	0.000	1	115.2390	0.000	1	117.8459	14.765	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	119.5930	0.000	1	119.5930	0.000	1	119.4200	0.060	2	117.8459	14.765	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]C){3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(H){1|C<4>,5|C<3>}	119.2470	0.000	1	119.2470	0.000	1	119.4200	0.060	2	117.8459	14.765	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6a]C[6,6a]2)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(O)	C[6,6](C[6,6a]C[6,6a]2)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	117.3440	0.000	1	117.3440	0.000	1	117.3440	0.000	1	117.8459	14.765	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[5,6]-3:C[6]-3:C[6,6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[5,6])(O)	C[6,6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[5,6])(O){1|H<1>,2|C<4>,4|C<3>}	121.0950	0.000	2	121.0950	0.000	2	121.0950	0.000	2	117.8459	14.765	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]N[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]N[6])(H){1|Ru<6>,1|C<4>,1|H<1>,4|C<3>}	126.7430	0.000	1	126.7430	0.000	1	126.7430	0.000	1	117.8459	14.765	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	119.8110	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	120.7880	0.000	1	120.7880	0.000	1	120.7880	0.000	1	121.8055	1.159	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6]-3:C-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6]C[6a]O[6])(C[6]C[6,6]HH)(C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(CCO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]O[6])(C[6]C[6,6]HH)(C[6,6]C[6]2){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(CCO){1|H<1>,2|C<4>,3|C<3>}	120.2050	0.000	1	120.2050	0.000	1	120.2050	0.000	1	121.8055	1.159	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Al)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	122.6170	0.000	1	122.5990	0.001	2	122.4600	0.162	4	121.8055	1.159	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Al)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	122.5810	0.000	1	122.5990	0.001	2	122.4600	0.162	4	121.8055	1.159	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Mg)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Mg)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Mg)(C[6]C[6]N){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Mg<5>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Mg){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	122.3210	0.638	2	122.3210	0.407	2	122.4600	0.162	4	121.8055	1.159	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	122.4020	0.866	4	122.4020	0.750	4	122.4020	0.750	4	121.2863	2.322	7	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]S[6]HH)(C[6]O[6]C)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]S[6]HH)(C[6]O[6]C){1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH){1|C<4>,5|C<3>}	119.7987	0.183	3	119.7987	0.034	3	119.7987	0.034	3	121.2863	2.322	7	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.9940	0.359	2	121.9940	0.129	2	121.9940	0.129	2	121.9940	0.129	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]Ir)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]Ir){1|C<4>,2|C<3>,2|H<1>}	124.1333	1.004	7	124.1333	1.008	7	124.1654	0.766	9	123.0056	1.600	30	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CIrC)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CIrC){1|C<4>,2|C<3>,2|H<1>}	124.2780	0.215	2	124.2780	0.046	2	124.1654	0.766	9	123.0056	1.600	30	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(NC[6a]Co)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)(C[6]C[6]N){2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(NC[6a]Co){1|C<4>,2|C<3>,2|H<1>}	123.9510	0.000	1	123.9510	0.000	1	122.5085	1.148	21	123.0056	1.600	30	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Fe){1|C<4>,2|C<3>,2|H<1>}	122.4560	0.000	1	122.4560	0.000	1	122.5085	1.148	21	123.0056	1.600	30	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(NC[6a]Ni)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]CC)(NC[6a]Ni){1|C<4>,2|C<3>,2|H<1>}	123.0935	0.115	2	123.0935	0.013	2	122.5085	1.148	21	123.0056	1.600	30	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni){1|C<4>,2|C<3>,2|H<1>}	122.3380	0.979	3	122.1128	0.942	10	122.5085	1.148	21	123.0056	1.600	30	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni){1|C<4>,2|C<3>,2|H<1>}	121.6238	0.221	4	122.1128	0.942	10	122.5085	1.148	21	123.0056	1.600	30	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni){1|C<4>,2|C<3>,2|H<1>}	123.4180	0.358	2	122.1128	0.942	10	122.5085	1.148	21	123.0056	1.600	30	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Ni){1|C<4>,2|C<3>,2|H<1>}	120.7830	0.000	1	122.1128	0.942	10	122.5085	1.148	21	123.0056	1.600	30	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Pd)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Pd){1|C<4>,2|C<3>,2|H<1>}	121.6400	0.397	3	122.8348	1.838	6	122.5085	1.148	21	123.0056	1.600	30	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Pd)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NC[6a]Pd){1|C<4>,2|C<3>,2|H<1>}	124.0297	0.392	3	122.8348	1.838	6	122.5085	1.148	21	123.0056	1.600	30	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N-3:	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuH)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(NRuH){1|C<4>,2|C<3>,2|H<1>}	121.9480	0.000	1	121.9480	0.000	1	122.5085	1.148	21	123.0056	1.600	30	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	3:4:4:	3:4:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(N[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(N[6]C[6]C){2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(O){2|H<1>,4|C<4>}	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	121.0060	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	118.2420	0.000	1	118.2420	0.000	1	118.2420	0.000	1	118.3383	0.591	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6,6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6,6]O)(C[6]C[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>}	117.6220	0.000	1	117.6220	0.000	1	117.6220	0.000	1	118.3383	0.591	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	119.1510	0.000	1	119.1510	0.000	1	119.1510	0.000	1	118.3383	0.591	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:2:	3:4:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6,6](C[5,6]C[5,6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|C<4>,1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	120.4460	0.000	1	120.4460	0.000	1	120.4460	0.000	1	120.4460	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O)	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	122.8330	0.000	1	123.3800	0.598	2	123.3800	0.598	2	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O)	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	123.9270	0.000	1	123.3800	0.598	2	123.3800	0.598	2	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	N[6,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O)	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O){2|C<4>,2|S<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<3>,2|C<4>,4|C<3>}	121.0880	0.000	1	121.0880	0.000	1	121.0880	0.000	1	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.7960	0.000	2	121.7960	0.000	2	121.7960	0.000	2	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	121.3030	0.000	2	121.3030	0.000	2	120.6147	1.421	3	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.2380	0.000	1	119.2380	0.000	1	120.6147	1.421	3	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	121.3750	0.000	1	121.3750	0.000	1	120.7053	0.760	4	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	121.0440	0.000	1	121.0440	0.000	1	120.7053	0.760	4	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	120.9780	0.000	1	120.9780	0.000	1	120.7053	0.760	4	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	119.4240	0.000	1	119.4240	0.000	1	120.7053	0.760	4	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	121.7810	0.000	1	121.7810	0.000	1	121.7810	0.000	1	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[5,6]C)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	119.9175	0.217	8	119.9175	0.047	8	119.9175	0.047	8	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6,6](C[6]C[6]TiO)(C[6,6]C[6]2)(N[6]C[6]Ti)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Ti<9>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6]TiO)(C[6,6]C[6]2)(N[6]C[6]Ti){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	119.0910	0.000	1	117.3000	2.491	3	117.3000	2.491	3	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6,6](C[6]C[6]TiO)(C[6,6]C[6]2)(N[6]C[6]Ti)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Ti<9>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6]C[6]TiO)(C[6,6]C[6]2)(N[6]C[6]Ti){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	116.4045	0.414	2	117.3000	2.491	3	117.3000	2.491	3	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|C<4>,2|H<1>,4|C<3>}	122.8100	0.000	1	122.8100	0.000	1	122.8100	0.000	1	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>}	118.6960	0.000	1	118.6960	0.000	1	118.6960	0.000	1	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6,6a]C[6])(N[6]C[6]Mn)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Cr<9>,1|Mn<6>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6,6a]C[6])(N[6]C[6]Mn){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	115.8440	0.000	1	115.8440	0.000	1	115.8440	0.000	1	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-3:	P[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]P[6])(C[6]C[6]H)	C[6,6](P[6]C[6,6a]C[6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]P[6])(C[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	C[6,6](P[6]C[6,6a]C[6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,1|P<4>,3|C<3>}	116.1330	0.000	1	116.1330	0.000	1	116.1330	0.000	1	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6,6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O)	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(O){1|C<4>,2|H<1>,4|C<3>}	122.5970	0.628	3	122.5970	0.394	3	122.5970	0.394	3	120.3355	4.303	31	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	121.3847	0.170	8	121.3847	0.029	8	121.3847	0.029	8	121.3847	0.029	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:4:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-2:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	120.5920	0.000	1	120.5920	0.000	1	120.5920	0.000	1	120.5920	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	119.9050	0.000	1	119.9050	0.000	1	119.9050	0.000	1	121.5020	5.101	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[6,6](C[5,6]C[5,6,6a]C[5]O)(C[6,6]C[6]2)(C[6]C[6]OO){1|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	123.0990	0.000	1	123.0990	0.000	1	123.0990	0.000	1	121.5020	5.101	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:4:	3:3:2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<2>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)(CN){2|C<2>,2|C<3>,2|C<4>}	120.3310	0.000	2	120.3310	0.000	2	120.1150	0.140	3	120.1150	0.140	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:4:	3:3:2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C)	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]N[6])(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|C<2>,1|N<3>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	119.6830	0.000	1	119.6830	0.000	1	120.1150	0.140	3	120.1150	0.140	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:4:	3:3:3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6a]C[6])	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]){3|C<4>,4|C<3>,5|H<1>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	118.2190	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:4:	3:4:1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]O){3|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6a]C[6])(C[6]C[6]HH){2|C<3>,2|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]HH)(O){1|H<1>,2|C<3>,3|C<4>}	119.4290	0.000	1	119.4290	0.000	1	119.4290	0.000	1	119.4290	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:3:4:	3:4:3:	N[6]-3:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:C-3:	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,2|C<3>,5|H<1>}	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]HH){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(CC[6a]H){1|C<3>,2|C<4>,3|H<1>}	123.2270	0.000	1	123.2270	0.000	1	123.2270	0.000	1	123.2270	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[3,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O){1|O<2>,2|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2){2|O<1>,2|O<2>,5|C<4>,5|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6,6]C[6,6]C[6])(O){1|O<1>,4|C<4>}	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	121.1160	1.083	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-4:C[6,6]-3:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]2)(C[6]C[3,6]O)(C[6]C[6,6]O){1|O<2>,2|H<1>,7|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2){2|O<1>,2|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O){1|O<1>,3|H<1>,5|C<4>}	121.8520	0.000	1	121.8520	0.000	1	121.8520	0.000	1	121.1160	1.083	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-5:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6,6](C[6]C[6]OYY)(C[6,6]C[6]2)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Y<14>,1|O<3>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6]OYY)(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|N<3>,2|H<1>}	118.9180	0.000	1	118.9180	0.000	1	118.4925	0.362	2	118.4925	0.362	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:3:	5:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-5:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6,6](C[6]C[6]Yb2O)(C[6,6]C[6]2)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Yb<14>,1|O<3>,2|C<3>,3|H<1>}	C[6,6](C[6]C[6]Yb2O)(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|N<3>,2|H<1>}	118.0670	0.000	1	118.0670	0.000	1	118.4925	0.362	2	118.4925	0.362	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:2:3:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]O[6]HH)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]O[6]HH){1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(OH){2|H<1>,2|O<2>,4|C<3>}	121.3660	0.000	1	121.3660	0.000	1	121.3660	0.000	1	121.3660	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6,6a]H)(C[6]C[6]HH){2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6,6a]){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	118.5285	0.342	4	118.5285	0.117	4	118.5285	0.117	4	118.5285	0.117	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](N[6]C[6,6]Co)(C[6,6]C[6]2)(C[6]C[6]N)	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Co<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6,6]Co)(C[6,6]C[6]2)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	116.4220	0.000	1	116.4220	0.000	1	118.0056	0.643	7	119.3766	3.925	14	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](N[6]C[6,6]Fe)(C[6,6]C[6]2)(C[6]C[6]N)	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Fe<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](N[6]C[6,6]Fe)(C[6,6]C[6]2)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	118.2695	0.432	6	118.2695	0.186	6	118.0056	0.643	7	119.3766	3.925	14	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:S[6]-4:	C[6,6]-3:C[6]-3:N[6]-3:	C[5a,6]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5a,6]O)(S[6]C[6]OO)	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]S[6])(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5a,6]O)(S[6]C[6]OO){1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[5a,6]O)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<3>,3|O<1>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]S[6])(O){1|C<4>,2|N<3>,2|O<1>,3|C<3>}	122.2095	0.855	2	122.2095	0.731	2	122.2095	0.731	2	119.3766	3.925	14	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,2|H<1>,4|C<3>}	118.9100	1.075	2	118.9100	1.155	2	120.1630	3.534	5	119.3766	3.925	14	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]OV)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]OV){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|V<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,1|O<2>,1|V<7>,4|C<3>}	120.2970	0.000	1	120.2970	0.000	1	120.1630	3.534	5	119.3766	3.925	14	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]OW)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]OW){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|W<10>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|W<10>,1|C<4>,1|H<1>,1|O<2>,4|C<3>}	119.4770	0.000	1	119.4770	0.000	1	120.1630	3.534	5	119.3766	3.925	14	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO){1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,3|O<2>,4|C<3>}	123.2210	0.000	1	123.2210	0.000	1	120.1630	3.534	5	119.3766	3.925	14	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6,6]-3:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6]Pt)(C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH){1|Pt<4>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6]Pt)(C[6,6]C[6]2){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	116.7675	0.882	2	116.7675	0.778	2	116.7675	0.778	2	116.7675	0.778	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP)	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|P<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HP){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){1|N<3>,4|C<4>,4|H<1>}	118.4240	0.000	1	118.4240	0.000	1	118.4240	0.000	1	118.0998	3.169	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](N[6]C[6,6]Mn)(C[6,6]C[6]2)(C[6]C[6]HN)	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Mn<7>,1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[6,6](N[6]C[6,6]Mn)(C[6,6]C[6]2)(C[6]C[6]HN){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])2(H){1|N<3>,4|C<4>,4|H<1>}	117.1530	0.232	4	117.1530	0.054	4	117.1530	0.054	4	118.0998	3.169	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH){1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	121.5630	0.000	1	121.5630	0.000	1	121.5630	0.000	1	118.0998	3.169	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[5,6]-4:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2Zr)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC){1|Zr<13>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC){1|Zr<13>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[5,6]C[5,6]2Zr)(H){2|C<3>,6|C<4>}	119.0410	0.188	2	119.0410	0.035	2	119.0410	0.035	2	119.0410	0.035	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:4:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC){1|Zr<13>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[5,6]H)(C[6]C[6]CC){1|Zr<13>,3|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|C<5>,6|C<4>}	119.8770	0.136	2	119.8770	0.018	2	119.8770	0.018	2	119.3593	0.392	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	3:3:4:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]H)(C[6]C[6]CC)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]H)(C[6]C[6]CC){1|Cr<9>,3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]H)(C[6]C[6]CC){1|Cr<9>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6,6]C[6])(H){1|C<3>,1|H<1>,6|C<4>}	118.8415	0.293	2	118.8415	0.086	2	118.8415	0.086	2	119.3593	0.392	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	4:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[3,6]-4:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3,6]C[6,6a]C[3]O[3])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	120.6310	0.000	1	120.6310	0.000	1	120.6310	0.000	1	120.6310	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-4:C[6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	121.1000	0.000	1	121.1000	0.000	1	121.1000	0.000	1	121.1000	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6])	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6,6]){1|N<3>,3|C<3>,3|C<4>,4|H<1>}	119.8920	0.000	1	119.8920	0.000	1	119.8920	0.000	1	119.8920	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	122.1850	0.000	1	121.6260	0.247	4	121.9393	0.387	9	121.9393	0.387	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	121.4397	0.403	3	121.6260	0.247	4	121.9393	0.387	9	121.9393	0.387	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.3730	0.000	1	122.1508	0.538	4	121.9393	0.387	9	121.9393	0.387	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	122.0767	0.880	3	122.1508	0.538	4	121.9393	0.387	9	121.9393	0.387	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6,6]C[6])(H){2|C<3>,2|C<4>,2|H<1>,2|O<2>}	122.3470	0.000	1	122.3470	0.000	1	121.9393	0.387	9	121.9393	0.387	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	4:3:4:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[4,4,6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[6,6](C[4,4,6,6]C[3x4,6]C[3x4]C[3x6])(C[6,6]C[6]2)(C[6]C[6]CC)	C[6](C[6,6]C[3x6]C[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC){2|C<3>,2|H<1>,5|C<4>}	C[6,6](C[4,4,6,6]C[3x4,6]C[3x4]C[3x6])(C[6,6]C[6]2)(C[6]C[6]CC){1|C<2>,1|C<3>,2|H<2>,3|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6,6]C[6,6]C[6])(H){9|C<4>}	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:3:4:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-4:C[6]-4:C[6,6]-3:	C[3,6]-4:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H)	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2)	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[3,6]O)(C[6]C[6]2H){1|C<3>,3|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6]C[6]O[6]H)(C[6]C[3,6]HO)(C[6,6]C[6]2){1|C<3>,1|O<1>,2|O<2>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6])(O){2|H<1>,4|C<4>}	120.9710	1.281	2	120.9710	1.642	2	120.9710	1.642	2	120.9710	1.642	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	118.6165	0.380	2	118.6165	0.144	2	118.6165	0.144	2	119.1440	0.907	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[3x6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[3x6])(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	120.1990	0.000	1	120.1990	0.000	1	120.1990	0.000	1	119.1440	0.907	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:2:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){3|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]CC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	119.3685	0.841	2	119.3685	0.707	2	119.4414	0.196	5	119.4414	0.196	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:2:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.3300	0.000	1	119.3300	0.000	1	119.4414	0.196	5	119.4414	0.196	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:2:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|O<2>,4|H<1>}	119.6680	0.000	1	119.5700	0.019	2	119.4414	0.196	5	119.4414	0.196	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:2:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.4720	0.000	1	119.5700	0.019	2	119.4414	0.196	5	119.4414	0.196	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:N[6]-2:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){1|C<3>,1|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6])(O){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	117.4650	0.000	1	117.4650	0.000	1	117.4650	0.000	1	117.4650	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:2:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:O[6]-2:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]O[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]B[6])	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]O[6]O){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]B[6]){2|Br<1>,1|C<4>,2|F<1>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(OC){1|C<3>,1|C<4>,1|O<2>,2|F<1>,2|H<1>}	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	115.3390	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.8880	0.000	1	118.8880	0.000	1	119.4048	0.189	4	119.6986	2.360	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	119.5770	0.326	3	119.5770	0.106	3	119.4048	0.189	4	119.6986	2.360	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:O[6]-2:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[6,6]N[6]O[6])(C[6]C[6]CC)(C[6]N[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	C[6,6](C[6,6]N[6]O[6])(C[6]C[6]CC)(C[6]N[6]O){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(O[6]C[6]){1|N<3>,1|O<1>,1|O<2>,1|S<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>,3|C<4>}	117.4440	0.000	1	117.4440	0.000	1	117.4440	0.000	1	119.6986	2.360	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	118.8685	0.238	2	118.8685	0.057	2	119.5595	0.333	6	119.6986	2.360	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]N)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]N)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	120.2430	0.000	1	120.2430	0.000	1	119.5595	0.333	6	119.6986	2.360	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8470	0.000	1	119.7923	0.012	3	119.5595	0.333	6	119.6986	2.360	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.8660	0.000	1	119.7923	0.012	3	119.5595	0.333	6	119.6986	2.360	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(O[6]C[6]){1|Se<2>,1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	119.6640	0.000	1	119.7923	0.012	3	119.5595	0.333	6	119.6986	2.360	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:1:	C[6,6]-3:S[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]O[6])(S[6]C[6]OO)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]S[6])	C[6](C[6,6]C[6,6]S[6])(C[6]C[6a]S[6])(H)	C[6,6](C[6,6]C[6,6a]O[6])(S[6]C[6]OO)(C[6]C[6]H){1|S<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]S[6])(O[6]S[6]){1|C<4>,2|H<1>,3|C<3>,4|O<1>}	C[6](C[6,6]C[6,6]S[6])(C[6]C[6a]S[6])(H){1|C<4>,1|O<2>,3|C<3>,4|O<1>}	123.9630	0.000	1	123.9630	0.000	1	123.9630	0.000	1	119.6986	2.360	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]N[6]C)(O[6]B[6])	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO)	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6]2)(C[6]N[6]C)(O[6]B[6]){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>,3|O<2>}	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	119.5440	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	118.2487	0.749	3	117.9520	0.726	4	117.9520	0.726	4	117.9520	0.726	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	117.0620	0.000	1	117.9520	0.726	4	117.9520	0.726	4	117.9520	0.726	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]O[6]H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|H<1>,2|C<3>,3|C<4>}	118.4750	0.000	1	118.4750	0.000	1	120.8235	2.903	6	120.5811	2.830	7	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.3470	0.000	1	121.2932	1.974	5	120.8235	2.903	6	120.5811	2.830	7	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]O[6]H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	121.7798	1.026	4	121.2932	1.974	5	120.8235	2.903	6	120.5811	2.830	7	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-2:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H){1|C<4>,2|C<3>,3|H<1>}	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	120.5811	2.830	7	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:2:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6,6]-3:	C[6,6]-3:O[6]-2:C-3:	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]S[6]HH)(C[6]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6])(CCH)	C[6,6](C[6,6]C[6,6a]C[6,6])(C[6]S[6]HH)(C[6]O[6]C){1|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6,6]C[6]2){1|O<2>,2|S<2>,4|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6,6])(CCH){1|S<2>,2|H<1>,3|C<3>}	118.8850	0.000	1	118.8850	0.000	1	118.8850	0.000	1	119.6978	0.448	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:2:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]O[6]C){3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|C<4>,2|H<1>,3|C<3>}	119.5080	0.000	1	119.5080	0.000	1	119.9010	0.323	4	119.6978	0.448	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:2:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C-3:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]S[6]HH)(C[6]O[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]S[6]HH)(C[6]O[6]C){1|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(CCH){1|S<2>,2|H<1>,3|C<3>}	120.0320	0.617	3	120.0320	0.381	3	119.9010	0.323	4	119.6978	0.448	5	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	121.5060	0.000	1	121.5060	0.000	1	118.5813	6.418	3	118.3007	6.953	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6,6]C[6]2)(N[6]C[6]Pt){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	117.1190	0.074	2	117.1190	0.005	2	118.5813	6.418	3	118.3007	6.953	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]2)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]2)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	118.3007	6.953	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]Ni)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(N[6]C[6]Ni){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	115.9400	0.414	2	115.9400	0.172	2	115.9400	0.172	2	118.3007	6.953	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[5,6]-3:C[6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O)	C[6,6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6,6a]O){1|C<4>,1|O<1>,6|C<3>}	C[6,6](N[5,6]C[5,6]C[5])(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	120.7810	0.000	2	120.7810	0.000	2	120.7810	0.000	2	118.3007	6.953	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]Ru)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(C[6]N[6]H){1|Ru<6>,2|H<1>,3|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]Ru)(H){1|N<3>,2|H<1>,3|C<3>}	114.7310	0.000	1	114.7310	0.000	1	114.7310	0.000	1	118.3007	6.953	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:O[6]-2:	C[6,6](C[6]C[6a]O[6])(C[6]C[6,6]HH)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6,6](C[6]C[6a]O[6])(C[6]C[6,6]HH)(C[6,6]C[6]2){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	120.7220	0.000	1	120.7220	0.000	1	120.7220	0.000	1	120.7220	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	121.9550	0.000	1	121.9550	0.000	1	121.9550	0.000	1	121.9550	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<3>,3|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	121.7780	0.000	1	121.7780	0.000	1	121.7780	0.000	1	121.7780	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O)	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[4,4,6]O)(OC[6a])	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[4,4,6]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	118.8640	0.000	1	118.8640	0.000	1	118.8640	0.000	1	118.8640	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2N[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6,6]C[6]2N[6])(C[6]C[6]O){2|C<3>,3|C<4>,9|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	118.3070	0.000	1	118.3070	0.000	1	118.3070	0.000	1	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	120.3890	0.502	4	120.3890	0.252	4	120.1461	0.257	12	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	119.4610	0.033	2	119.4610	0.001	2	120.1461	0.257	12	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,1|O<2>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	119.7260	0.206	2	119.7260	0.043	2	120.1461	0.257	12	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	120.4557	0.199	4	120.4557	0.040	4	120.1461	0.257	12	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]CC)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]N[6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,5|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	119.9590	0.000	1	119.9590	0.000	1	119.9590	0.000	1	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[5,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|C<3>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.7260	0.000	2	119.7464	0.059	5	119.7464	0.059	5	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[5,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|S<2>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.7600	0.342	3	119.7464	0.059	5	119.7464	0.059	5	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6,6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O)	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6]H)(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6,6]C[6,6a]C[6,6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	120.2010	0.000	2	120.2010	0.000	2	120.2010	0.000	2	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CC)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,4|C<4>}	119.5170	0.000	1	119.5170	0.000	1	120.1314	0.197	11	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	119.2410	0.000	1	119.2410	0.000	1	120.1314	0.197	11	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	120.1502	0.192	4	120.2256	0.023	8	120.1314	0.197	11	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,3|C<3>,4|H<1>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	120.3010	0.049	4	120.2256	0.023	8	120.1314	0.197	11	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]N[6]HH)(C[6]C[6]O){2|C<3>,2|C<4>,4|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){2|H<1>,2|N<3>,3|C<4>}	120.8820	0.000	1	120.8820	0.000	1	120.1314	0.197	11	120.0187	0.282	32	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<2>,1|H<1>,2|C<4>,2|O<2>}	119.9510	0.000	1	119.9510	0.000	1	119.9510	0.000	1	118.9077	1.018	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|H<1>,2|O<2>,3|C<4>}	118.8350	0.000	1	118.8350	0.000	1	118.3860	0.403	2	118.9077	1.018	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|H<1>,2|O<2>,3|C<4>}	117.9370	0.000	1	117.9370	0.000	1	118.3860	0.403	2	118.9077	1.018	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	118.4837	0.466	3	118.4837	0.217	3	118.4837	0.217	3	118.4837	0.217	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[5,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(O[6]C[5,6]){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CO)(O){1|O<2>,2|C<4>,4|H<1>}	120.1360	0.000	1	120.1360	0.000	1	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,5|C<4>}	116.1418	0.433	4	116.1418	0.187	4	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.1830	0.185	2	118.5411	0.137	16	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.5487	0.361	10	118.5411	0.137	16	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.7010	0.403	4	118.5411	0.137	16	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	118.6955	0.006	2	119.5311	0.345	9	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	119.3130	0.000	1	119.5311	0.345	9	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	119.8460	0.381	6	119.5311	0.345	9	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,6|C<4>}	117.5730	0.000	1	117.5730	0.000	1	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	118.7520	0.000	1	118.7520	0.000	1	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.7940	0.000	1	118.7940	0.000	1	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|C<4>,1|P<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	118.4420	0.000	1	118.8227	0.159	4	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<4>,4|H<1>}	119.0050	0.000	1	118.8227	0.159	4	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	119.2950	0.000	1	118.8227	0.159	4	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	118.5490	0.000	1	118.8227	0.159	4	118.5824	1.154	37	118.5824	1.154	37	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:2:	3:4:4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:C-4:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]C){1|C<4>,2|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(CH3){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.8350	0.000	1	119.8350	0.000	1	119.8350	0.000	1	119.8350	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	117.1360	0.000	1	117.0805	0.006	2	117.5756	0.516	15	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Al){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<4>}	117.0250	0.000	1	117.0805	0.006	2	117.5756	0.516	15	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Mg)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Mg<5>,1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]2N)(N[6]C[6]Mg){2|C<3>,2|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	117.8060	0.701	2	117.8060	0.492	2	117.5756	0.516	15	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Ir)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Ir){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	118.0860	0.000	1	118.0860	0.000	1	117.5756	0.516	15	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Li)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Li<4>,1|C<3>,1|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]Li){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	117.1915	0.224	2	117.1915	0.050	2	117.5756	0.516	15	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]O){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	118.5820	0.419	2	118.5820	0.175	2	117.5756	0.516	15	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ir)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ir){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<4>}	117.2010	0.000	1	117.2010	0.000	1	117.5756	0.516	15	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	118.8540	0.000	1	117.7200	0.987	3	117.5756	0.516	15	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HN)(N[6]C[6]Ru){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	117.1530	0.211	2	117.7200	0.987	3	117.5756	0.516	15	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|C<4>,1|O<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	117.3350	0.000	1	116.9335	0.322	2	117.5756	0.516	15	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|C<4>,1|O<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(N[6]C[6]Al){1|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<4>}	116.5320	0.000	1	116.9335	0.322	2	117.5756	0.516	15	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]CH)(C[6]N[6]O){2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>,3|C<4>}	118.2100	0.000	1	118.2100	0.000	1	118.2100	0.000	1	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	O[6]-3:C[6]-4:C[6,6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]H)	C[6,6](O[6]C[6,6]Li)(C[6]C[6]Li2)(C[6,6]C[6]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]H){1|Li<4>,2|Li<5>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](O[6]C[6,6]Li)(C[6]C[6]Li2)(C[6,6]C[6]2){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>,3|C<4>}	116.4880	0.000	1	116.4880	0.000	1	116.4880	0.000	1	117.5489	0.550	17	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<4>,4|H<1>}	121.3985	0.035	2	121.3985	0.001	2	120.7153	1.401	3	120.7153	1.401	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]O){2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<4>,3|H<1>}	119.3490	0.000	1	119.3490	0.000	1	120.7153	1.401	3	120.7153	1.401	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:2:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5]C[6]O[5])(C[6,6]C[6]2)(O[6]C[5,6]){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|O<2>,2|C<4>,3|H<1>}	120.7190	0.000	1	120.7190	0.000	1	120.7190	0.000	1	120.7190	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[3,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]CO)(O)	C[6,6](C[6,6]C[3,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[3,6]C[3,6]O[3]C)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]CO)(O){2|C<4>,2|O<2>,3|H<1>}	120.4380	0.000	1	120.4380	0.000	1	120.4380	0.000	1	119.9850	0.733	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]ClH)(O)	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){2|Cl<1>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]ClH)(O){2|C<4>,2|O<2>,3|H<1>}	120.3900	0.264	2	120.3900	0.070	2	120.3900	0.070	2	119.9850	0.733	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:2:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[5,6]HH)(C[6]C[6]O){2|C<4>,2|O<2>,4|H<1>}	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	118.7220	0.000	1	118.7220	0.000	1	118.7220	0.000	1	119.9850	0.733	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2)(N[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.5170	0.160	2	119.5170	0.026	2	119.5170	0.026	2	120.1397	1.060	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|Fe<10>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	120.7140	0.000	1	120.7140	0.000	1	121.0948	0.569	5	120.1397	1.060	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.7780	0.000	1	121.7780	0.000	1	121.0948	0.569	5	120.1397	1.060	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,2|C<4>,3|H<1>}	120.0280	0.000	1	120.0280	0.000	1	121.0948	0.569	5	120.1397	1.060	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	121.4770	0.482	2	121.4770	0.233	2	121.0948	0.569	5	120.1397	1.060	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	119.1917	0.345	4	119.1917	0.119	4	119.4338	0.382	5	120.1397	1.060	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]CH)(C[6,6]C[6]2)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.4020	0.000	1	120.4020	0.000	1	119.4338	0.382	5	120.1397	1.060	12	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O)	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]O[6]O){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]3)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,8|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){3|C<4>,4|H<1>}	120.9220	0.000	1	120.9220	0.000	1	120.7415	0.065	2	120.7415	0.065	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:	3:2:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]O[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]O[6]O){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.5610	0.000	1	120.5610	0.000	1	120.7415	0.065	2	120.7415	0.065	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,4|C<4>,4|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]2)(C[6]C[6]HO){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)(O){7|C<4>}	118.4850	0.232	2	118.4850	0.054	2	119.5873	3.672	3	120.5386	1.698	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6]C[5]2C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|O<1>,4|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,2|C<3>,4|C<4>}	121.7920	0.000	1	121.7920	0.000	1	119.5873	3.672	3	120.5386	1.698	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){4|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){3|H<1>,4|C<4>}	121.0930	0.252	4	121.0930	0.064	4	121.1094	0.049	5	120.5386	1.698	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	3:4:3:	4:3:4:	3:4:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,4|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]HH)(O){1|O<2>,2|H<1>,4|C<4>}	121.1750	0.000	1	121.1750	0.000	1	121.1094	0.049	5	120.5386	1.698	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH)	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	118.9690	0.000	1	119.2955	0.213	2	119.2955	0.213	2	118.6122	0.585	22	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH)	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,5,6]C[5,5,6,6]C[5,5,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,5,6]C[6])(O[6]C[5,6,6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	119.6220	0.000	1	119.2955	0.213	2	119.2955	0.213	2	118.6122	0.585	22	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	118.1590	0.000	1	118.0395	0.029	2	117.9527	0.037	3	118.6122	0.585	22	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	117.9200	0.000	1	118.0395	0.029	2	117.9527	0.037	3	118.6122	0.585	22	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5a,6]C[5]2)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,2|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[5a,6])(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	117.7790	0.000	1	117.7790	0.000	1	117.9527	0.037	3	118.6122	0.585	22	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<2>,2|C<3>,3|C<4>}	119.7750	0.000	1	119.7750	0.000	1	119.7750	0.000	1	118.6122	0.585	22	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[5a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.9650	0.000	1	118.9650	0.000	1	118.5778	0.559	16	118.6122	0.585	22	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	118.8640	0.000	1	117.8750	0.487	4	118.5778	0.559	16	118.6122	0.585	22	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	117.6740	0.239	2	117.8750	0.487	4	118.5778	0.559	16	118.6122	0.585	22	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	117.2880	0.000	1	117.8750	0.487	4	118.5778	0.559	16	118.6122	0.585	22	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.2828	0.366	5	118.7982	0.426	11	118.5778	0.559	16	118.6122	0.585	22	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.3943	0.561	6	118.7982	0.426	11	118.5778	0.559	16	118.6122	0.585	22	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:2:4:	3:4:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:O[6]-2:C[6]-4:	C[6,6]-3:C[6]-4:N-2:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a])	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]N){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]HH){1|H<1>,1|N<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(NC[6a]){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.4320	0.000	1	119.4320	0.000	1	119.4320	0.000	1	119.4320	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:2:4:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:O[6]-2:C-4:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(O[6]B[6])	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]N[6]O[6])(C[6]O[6]C){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]B[6])(CH3){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	117.6670	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:N[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(N[6]O[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(N[6]O[6]){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	119.1410	0.000	1	119.1410	0.000	1	119.1410	0.000	1	119.0230	1.233	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6]){1|Cr<9>,1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|Cr<9>,1|C<3>,1|O<2>,4|C<4>}	117.2390	0.000	1	117.4943	0.073	3	117.4943	0.073	3	119.0230	1.233	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6]){1|Cr<9>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|Cr<9>,1|O<2>,2|C<3>,3|C<4>}	117.4680	0.000	1	117.4943	0.073	3	117.4943	0.073	3	119.0230	1.233	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6]){1|Cr<9>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|Cr<9>,1|O<2>,2|C<4>,3|C<3>}	117.7760	0.000	1	117.4943	0.073	3	117.4943	0.073	3	119.0230	1.233	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:O[6]-2:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(N[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]N[6]O[6])(C[6]N[6]O){3|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O[6]C[6]){1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(N[6]C[6]C)(O){1|N<3>,1|O<2>,2|C<4>,3|H<1>}	118.1370	0.209	2	118.1370	0.044	2	118.1370	0.044	2	119.0230	1.233	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[3,6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|N<3>,1|O<1>,5|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[3,6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.4130	0.000	1	119.4130	0.000	1	119.7163	0.519	9	119.0230	1.233	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6,6a]){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|H<1>,5|C<3>}	119.5830	0.000	1	119.5830	0.000	1	119.7163	0.519	9	119.0230	1.233	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<2>,1|O<1>,5|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|H<1>,5|C<3>}	120.4955	0.261	2	119.7787	0.669	7	119.7163	0.519	9	119.0230	1.233	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.8630	0.000	1	119.7787	0.669	7	119.7163	0.519	9	119.0230	1.233	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	119.9560	0.619	2	119.7787	0.669	7	119.7163	0.519	9	119.0230	1.233	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	118.2470	0.000	1	119.7787	0.669	7	119.7163	0.519	9	119.0230	1.233	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|H<1>,5|C<3>}	119.4380	0.000	1	119.7787	0.669	7	119.7163	0.519	9	119.0230	1.233	15	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:2:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-3:C-3:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(O[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(O[6]C[6]){1|H<1>,1|O<2>,8|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O){2|O<2>,5|C<3>}	117.4460	0.000	1	117.4460	0.000	1	117.4460	0.000	1	117.4460	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:2:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:H-1:	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6])(H)	C[6,6](C[6,6]C[6,6a]2O[6])(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,6|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.3770	0.000	1	118.3770	0.000	1	118.3770	0.000	1	118.3770	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[3,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[3,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Cu)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[3,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Cu){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	117.8920	0.317	2	117.8920	0.100	2	117.8920	0.100	2	120.0612	3.535	26	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,5,6]C[5,5,6]N[5]2)(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6,6](C[6,6]C[5,5,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Co)	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,5,6]C[5,5,6]N[5]2)(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Co<7>,3|H<1>,3|N<3>,4|C<3>}	C[6,6](C[6,6]C[5,5,6]C[6])(C[6,6]C[6,6]N[6])(N[6]C[6]Co){1|C<4>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|N<3>}	118.3530	0.357	4	118.3530	0.127	4	118.3530	0.127	4	120.0612	3.535	26	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	119.5860	0.000	1	119.0525	0.569	2	119.0525	0.569	2	120.0612	3.535	26	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<4>}	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	118.5190	0.000	1	119.0525	0.569	2	119.0525	0.569	2	120.0612	3.535	26	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O)	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O){1|H<1>,2|C<4>,3|C<3>}	118.7810	0.000	2	118.7810	0.000	2	118.7810	0.000	2	120.0612	3.535	26	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:N[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[5,6]C[5,6]N[5]O)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]N[5]O)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]N[6a])(C[6,6]C[5,6]C[6])(N[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	118.5480	0.000	1	118.5480	0.000	1	118.5480	0.000	1	120.0612	3.535	26	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>}	119.1050	0.000	1	119.1050	0.000	1	119.1050	0.000	1	120.0612	3.535	26	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){2|C<3>,4|C<4>}	116.9370	0.000	1	116.9370	0.000	1	116.9370	0.000	1	120.0612	3.535	26	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	119.9620	0.000	1	119.9620	0.000	1	119.9620	0.000	1	120.0612	3.535	26	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){1|Cl<1>,1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	122.4439	0.151	8	122.4439	0.023	8	122.4439	0.023	8	120.0612	3.535	26	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|H<1>,1|O<1>,6|C<3>}	C[6,6](C[6]C[6,6a]O)(N[6]C[6,6a]H)(C[6,6]C[6]2){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,2|H<1>,5|C<3>}	120.3903	0.241	3	120.3903	0.058	3	120.3903	0.058	3	120.0612	3.535	26	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:1:	P[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6](P[6]C[6,6a]C[6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]P[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]P[6])(C[6]C[6]O)(H)	C[6,6](P[6]C[6,6a]C[6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,6|C<3>}	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]P[6])(C[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6]C[6,6]P[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,4|C<3>}	121.4530	0.000	1	121.4530	0.000	1	121.4530	0.000	1	120.0612	3.535	26	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	3:3:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(OH){2|C<3>,4|C<4>}	115.7750	0.000	1	115.7750	0.000	1	115.7750	0.000	1	115.7750	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:3:	4:3:3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C-3:	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O)	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]2)(COO)	C[6,6](C[6,6]C[6,6]S[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]C){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6,6]N[6])(C[6]N[6,6]O){2|C<4>,2|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a]H)(C[6,6]C[6,6]2)(COO){1|C<4>,2|H<1>,2|S<2>,4|C<3>}	122.4030	0.000	1	122.4030	0.000	1	122.4030	0.000	1	122.4030	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(O)	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,2|C<4>,4|C<3>,7|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(O){1|C<3>,1|H<1>,4|C<4>}	118.7970	0.000	1	118.7970	0.000	1	118.7970	0.000	1	119.1330	1.607	13	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	118.5240	0.000	1	119.0395	0.139	4	118.5030	0.438	9	119.1330	1.607	13	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]CH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	119.2113	0.176	3	119.0395	0.139	4	118.5030	0.438	9	119.1330	1.607	13	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	117.7920	0.000	1	118.0162	0.317	4	118.5030	0.438	9	119.1330	1.607	13	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	118.0910	0.665	3	118.0162	0.317	4	118.5030	0.438	9	119.1330	1.607	13	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[5,6]H)(C[6]O[6]HO){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	118.3040	0.000	1	118.3040	0.000	1	118.5030	0.438	9	119.1330	1.607	13	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[6,6]-4:C[6]-3:C[6,6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|N<3>,1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){2|C<4>,2|H<1>,4|C<3>}	120.9620	0.000	1	120.9620	0.000	1	120.9620	0.000	1	119.1330	1.607	13	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:N[6]-3:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]N[6]O){1|C<4>,3|H<1>,5|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.2215	0.141	2	121.2215	0.020	2	121.2215	0.020	2	119.1330	1.607	13	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[3x6]C[3x6]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,5|C<4>}	121.1460	0.000	1	121.1460	0.000	1	121.1460	0.000	1	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[4x6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[4x6]C[4,3x6]C[5x6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,1|N<3>,5|C<4>,5|H<1>}	C[6,6](C[6,6]C[4x6]C[6])(N[6]C[3x6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[4x6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,5|C<4>}	120.7985	0.138	2	120.7985	0.019	2	120.7985	0.019	2	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5,6]C)(C[6]C[6]HH){1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	119.5365	0.262	2	119.5365	0.069	2	119.3988	0.195	12	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[6a]C[6])(C[6]C[6]HH){1|N<3>,1|O<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	119.9337	0.315	3	119.9337	0.100	3	119.3988	0.195	12	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	118.8490	0.000	1	119.0923	0.148	4	119.3988	0.195	12	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	119.2595	0.566	2	119.0923	0.148	4	119.3988	0.195	12	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	119.0010	0.000	1	119.0923	0.148	4	119.3988	0.195	12	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){2|C<3>,2|N<3>,3|C<4>}	119.1805	0.153	2	119.1807	0.012	3	119.3988	0.195	12	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]N[5a,6]C[5])(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(N[6]C[5a,6]H)(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){2|C<3>,2|N<3>,3|C<4>}	119.1810	0.000	1	119.1807	0.012	3	119.3988	0.195	12	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|N<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]O[6])(C[6]C[6]HH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(H){1|C<3>,3|C<4>,3|H<1>}	121.9830	0.000	1	121.9830	0.000	1	121.9830	0.000	1	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<3>,2|C<4>,8|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,1|O<2>,2|C<4>,2|H<1>}	120.4030	0.000	1	120.4030	0.000	1	120.7318	0.364	6	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.7120	0.000	1	121.7120	0.000	1	120.7318	0.364	6	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	120.4300	0.543	2	120.4300	0.295	2	120.7318	0.364	6	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]N[6,6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	121.0760	0.000	1	121.0760	0.000	1	120.7318	0.364	6	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]N[6,6]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6]C[6a])(C[6]C[6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|H<1>,2|N<3>,4|C<4>}	120.3400	0.000	1	120.3400	0.000	1	120.7318	0.364	6	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	120.4990	0.000	1	120.4990	0.000	1	119.8303	0.887	61	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[5a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.6795	0.057	2	119.6795	0.003	2	119.8303	0.887	61	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	120.5324	0.621	14	120.6099	0.409	19	119.8303	0.887	61	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]C)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.8270	0.713	5	120.6099	0.409	19	119.8303	0.887	61	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.1583	0.694	28	119.2875	0.523	33	119.8303	0.887	61	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]H)(C[6]C[6]HH){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.0114	0.399	5	119.2875	0.523	33	119.8303	0.887	61	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]N)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	120.5245	0.653	2	120.5245	0.426	2	119.8303	0.887	61	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|O<2>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.0240	0.387	2	119.0240	0.150	2	119.8303	0.887	61	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	121.0270	0.000	1	121.3065	0.156	2	119.8303	0.887	61	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]N[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[5,6]H)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	121.5860	0.000	1	121.3065	0.156	2	119.8303	0.887	61	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[5,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|H<1>,3|C<3>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	120.2750	0.000	2	120.2750	0.000	2	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|S<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.4340	0.000	1	119.7388	0.240	5	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.9760	0.000	1	119.7388	0.240	5	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<4>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.4035	0.202	2	119.7388	0.240	5	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6,6](N[6]C[5,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.4770	0.000	1	119.7388	0.240	5	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<2>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.1807	0.172	3	119.0327	0.107	4	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	118.5890	0.000	1	119.0327	0.107	4	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	120.0740	0.116	2	120.6628	0.485	4	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[6,6]C[3])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	121.2515	0.233	2	120.6628	0.485	4	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,4|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.9921	0.240	15	120.1694	0.184	19	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|H<1>,5|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]C[6]HH){1|O<1>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.8340	0.296	4	120.1694	0.184	19	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|H<1>,5|C<3>}	C[6,6](N[6]C[6,6]C[6a])(C[6,6]C[6]2)(C[6]S[6]HH){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.9020	0.000	1	122.9020	0.000	1	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){2|C<3>,3|C<4>,6|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	119.6550	0.000	1	119.6550	0.000	1	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6a]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	120.0047	0.577	7	120.0047	0.333	7	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.7760	0.440	2	120.6107	0.457	6	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,1|N<3>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	120.2450	0.000	1	120.6107	0.457	6	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|H<1>,2|O<1>,3|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	119.5960	0.000	1	120.6107	0.457	6	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6,6](N[6]C[6a]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.1355	0.566	2	120.6107	0.457	6	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]N[5a,6]C[6a]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,5|H<1>}	C[6,6](N[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	119.2770	0.000	1	119.2770	0.000	1	120.1355	0.556	50	119.9874	0.767	133	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:2:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]O[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6])(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]O[6]O){1|C<3>,1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6,6])(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.9987	0.436	3	119.9987	0.190	3	119.9987	0.190	3	119.9987	0.190	3	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	119.9960	0.000	1	118.7254	0.797	5	118.5361	0.586	14	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,3|C<4>,7|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	118.7160	0.122	3	118.7254	0.797	5	118.5361	0.586	14	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6])(C[6]C[6]O){5|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,7|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,5|C<4>}	117.4830	0.000	1	118.7254	0.797	5	118.5361	0.586	14	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	119.1610	0.000	1	118.4309	0.520	9	118.5361	0.586	14	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|N<3>,1|O<1>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	118.4648	0.367	4	118.4309	0.520	9	118.5361	0.586	14	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	118.2090	0.000	1	118.4309	0.520	9	118.5361	0.586	14	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	117.1730	0.000	1	118.4309	0.520	9	118.5361	0.586	14	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|O<1>,2|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|N<3>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<3>,3|C<4>}	117.9030	0.000	1	118.4309	0.520	9	118.5361	0.586	14	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|N<3>,1|O<1>,2|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	119.5730	0.000	1	118.4309	0.520	9	118.5361	0.586	14	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]2H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.0195	0.066	2	119.0195	0.004	2	119.0613	1.959	10	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,2|O<2>,7|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	119.3890	0.000	1	119.3890	0.000	1	119.0613	1.959	10	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[3x6])	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[3x6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.5180	0.148	2	120.5180	0.022	2	119.0613	1.959	10	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	120.6600	0.000	1	120.1380	0.545	2	119.0613	1.959	10	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.6160	0.000	1	120.1380	0.545	2	119.0613	1.959	10	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	117.2790	0.000	1	117.2910	0.494	3	119.0613	1.959	10	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.0000	0.000	1	117.2910	0.494	3	119.0613	1.959	10	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){3|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	116.5940	0.000	1	117.2910	0.494	3	119.0613	1.959	10	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|N<2>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.8940	0.000	1	118.8110	0.014	2	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[3,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3,6]){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.7280	0.000	1	118.8110	0.014	2	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.7126	0.239	8	118.5580	0.190	55	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.4449	0.352	36	118.5580	0.190	55	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.2220	0.330	2	118.5580	0.190	55	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.5050	0.502	2	118.5580	0.190	55	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.8640	0.472	2	118.5580	0.190	55	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	118.4315	0.613	4	118.5580	0.190	55	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6,6]){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	118.0630	0.000	1	118.5580	0.190	55	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.0074	0.361	8	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	117.6830	0.000	1	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.1363	0.639	11	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.0360	0.000	1	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.5080	0.244	4	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.8620	0.000	1	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,1|N<3>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	119.3250	0.000	1	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.3420	0.287	3	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	118.1418	0.361	5	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){1|Cl<1>,1|C<2>,1|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	119.1675	0.052	2	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<3>,2|C<4>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.1160	0.762	3	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.7180	0.000	1	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	118.2810	0.000	1	118.4741	0.352	42	118.5275	0.256	99	118.5719	0.434	123	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|Fe<10>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	119.6020	0.000	1	119.6020	0.000	1	117.4153	2.153	4	117.4153	2.153	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	116.6960	0.000	1	116.6960	0.000	1	117.4153	2.153	4	117.4153	2.153	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:3:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	116.6815	0.289	2	116.6815	0.084	2	117.4153	2.153	4	117.4153	2.153	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:3:2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(OC[6a])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(OC[6a]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	118.2790	0.000	1	118.2790	0.000	1	118.2790	0.000	1	118.2790	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.5590	0.590	2	120.5590	0.348	2	119.9155	0.619	24	119.9155	0.619	24	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[5a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	118.9910	0.000	1	118.9910	0.000	1	119.9155	0.619	24	119.9155	0.619	24	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){3|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	120.6635	0.415	4	120.6635	0.172	4	119.9155	0.619	24	119.9155	0.619	24	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<2>,1|C<4>,3|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	118.9495	0.192	2	119.5008	0.154	15	119.9155	0.619	24	119.9155	0.619	24	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.5446	0.387	10	119.5008	0.154	15	119.9155	0.619	24	119.9155	0.619	24	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|H<1>,1|N<3>,2|C<3>,3|C<4>}	119.7130	0.000	1	119.5008	0.154	15	119.9155	0.619	24	119.9155	0.619	24	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	119.7270	0.021	2	119.5008	0.154	15	119.9155	0.619	24	119.9155	0.619	24	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|S<2>,4|C<3>,5|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]S[6]HH)(N[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]S[6]HH)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	121.8950	0.000	1	121.8950	0.000	1	119.9155	0.619	24	119.9155	0.619	24	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6a]N[6]H)(C[6,6]C[6]N[6])(C[6]C[6]O){1|C<4>,3|C<3>,6|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|S<1>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	120.8010	0.000	1	120.8010	0.000	1	119.9155	0.619	24	119.9155	0.619	24	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	120.8040	0.000	1	120.9197	0.170	3	120.9197	0.170	3	120.7020	0.303	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	121.3770	0.000	1	120.9197	0.170	3	120.9197	0.170	3	120.7020	0.303	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6,6]O[5]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,4|C<4>,6|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6]HH)(C[6]C[6]HO){1|O<1>,1|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	120.5780	0.000	1	120.9197	0.170	3	120.9197	0.170	3	120.7020	0.303	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	3:4:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)2{1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	120.0490	0.000	1	120.0490	0.000	1	120.0490	0.000	1	120.7020	0.303	4	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:2:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:O[6]-2:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]O[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6])(O[6]C[6])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O)	C[6,6](C[5,6]C[5,6,6]C[5,6]H)(C[6,6]C[5,6]O[6])(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6,6]C[5,6]C)(C[6,6]C[5,6]C[6])(O[6]C[6]){1|O<1>,2|C<3>,2|O<2>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]HH)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.5050	0.000	1	120.5050	0.000	1	120.5050	0.000	1	120.5050	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	119.6080	0.000	1	119.6080	0.000	1	120.2700	0.798	4	120.7378	0.675	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O){1|C<3>,2|C<4>,3|H<1>}	121.4400	0.000	1	121.4400	0.000	1	120.2700	0.798	4	120.7378	0.675	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,3|H<1>,5|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	120.0160	0.677	2	120.0160	0.459	2	120.2700	0.798	4	120.7378	0.675	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6,6]-3:	C[6]-4:C[6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[4,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6]C[4,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[4,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6,6](C[6]C[4,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	120.5315	0.127	2	120.5315	0.016	2	121.1120	0.357	5	120.7378	0.675	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6,6]-3:	C[6]-4:C[6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	121.2815	0.078	2	121.4990	0.145	3	121.1120	0.357	5	120.7378	0.675	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:	3:3:1:	C[6]-4:C[6]-3:C[6,6]-3:	C[6]-4:C[6]-3:C[6,6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[5,6]HH)(C[6]C[6,6a]O)(C[6,6]C[6]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){2|C<4>,3|C<3>,3|H<1>}	121.9340	0.000	1	121.4990	0.145	3	121.1120	0.357	5	120.7378	0.675	9	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H){6|C<4>,6|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(H){1|C<3>,1|H<1>,5|C<4>}	121.9770	0.369	2	121.9770	0.136	2	121.9770	0.136	2	120.6567	2.025	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:	3:4:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,4|H<1>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<1>,5|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]HH)(O){1|C<3>,1|H<1>,5|C<4>}	119.8440	0.000	1	119.8440	0.000	1	119.8440	0.000	1	120.6567	2.025	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]H){6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(H){1|C<3>,6|C<4>}	120.9040	0.571	2	120.9040	0.326	2	120.9040	0.326	2	120.6567	2.025	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:3:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<1>,5|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){1|C<3>,6|C<4>}	118.3340	0.000	1	118.3340	0.000	1	118.3340	0.000	1	120.6567	2.025	6	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:	3:2:1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(O)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[5,6]C[6])(C[6]O[6]O){1|O<1>,2|H<1>,7|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[5,6]C[6])(C[6]C[6]HH){1|C<4>,1|O<1>,2|O<2>,3|C<3>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(O[6]C[6])(O){2|C<3>,2|H<1>,3|C<4>}	119.7230	0.000	1	119.7230	0.000	1	119.7230	0.000	1	120.6280	1.638	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:	3:2:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:O[6]-2:O-1:	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O)	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(O[6]C[6])(O)	C[6,6](C[6,6]O[6,6]C[6]H)(C[6,6]C[3x6]C[6])(C[6]O[6]O){1|C<3>,4|C<4>,4|H<1>}	C[6,6](C[3x6]C[3x6]C[4x6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,2|C<4>,3|O<2>,5|H<1>}	C[6](C[6,6]C[6,6]2)(O[6]C[6])(O){1|O<2>,3|C<4>,3|H<1>}	121.5330	0.000	1	121.5330	0.000	1	121.5330	0.000	1	120.6280	1.638	2	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:	3:3:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C-3:	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C)	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(COO)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6,6](C[6]N[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HH){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(COO){1|O<2>,3|C<4>,3|H<1>}	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){1|C<3>,6|C<4>}	119.9820	0.000	1	119.9820	0.000	1	118.7363	1.400	3	120.1033	2.744	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<3>,1|O<2>,5|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){2|H<1>,2|O<1>,7|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){7|C<4>}	117.6270	0.000	1	118.1135	0.473	2	118.7363	1.400	3	120.1033	2.744	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|O<2>,6|C<4>,6|H<1>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HO){1|O<1>,1|O<2>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]HH)(O){1|C<3>,6|C<4>}	118.6000	0.000	1	118.1135	0.473	2	118.7363	1.400	3	120.1033	2.744	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6,6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){2|H<1>,5|C<4>}	120.9065	0.544	2	120.9065	0.296	2	120.7653	2.312	4	120.1033	2.744	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O)	C[6,6](C[6,6]C[3x6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){2|C<2>,2|C<3>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[3x6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]HH){1|N<2>,1|N<3>,1|O<1>,2|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]HH)(O){1|H<1>,6|C<4>}	118.8130	0.000	1	118.8130	0.000	1	120.7653	2.312	4	120.1033	2.744	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:	3:4:1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(O)	C[6,6](C[6,6]C[5,6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|O<2>,3|C<4>,6|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6,6]C[6])(C[6]C[5,6]HH){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]HH)(O){1|C<3>,2|H<1>,4|C<4>}	122.4350	0.000	1	122.4350	0.000	1	120.7653	2.312	4	120.1033	2.744	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6,6]	C[6]	4:3:3:	4:3:4:	3:4:1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6,6]-3:C[6]-4:	C[6,6]-3:C[6]-4:O-1:	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O)	C[6,6](C[6]C[6,6]HO)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<2>,2|C<4>,6|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]HO){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(O){1|O<2>,3|C<4>,3|H<1>}	121.5560	0.000	1	121.5560	0.000	1	121.5560	0.000	1	120.1033	2.744	8	119.7551	3.832	1008	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[3x6]	3:4:3:	3:3:1:	3:3:3:	C[3x6]-3:C[6]-4:C[6]-3:	C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6,6]-3:N[6,6]-3:	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H)	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H)	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2)	C[6,6](C[3x6]C[6,6]N[6,6])(C[6]C[6]HH)(C[6]N[6]H){1|B<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[3x6]C[6])(N[6]B[5a]C[6])(H){1|C<3>,2|C<4>,3|H<1>,3|N<3>}	C[3x6](C[6,6]C[6]2)2(N[6,6]C[6]2){10|H<1>,1|N<3>,3|C<4>}	118.2248	0.441	4	118.2248	0.194	4	118.2248	0.194	4	118.2248	0.194	4	118.2248	0.194	4	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:2:3:	3:4:3:	3:4:4:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6]-3:C[6]-4:C-3:	C[6,6]-3:C[6]-4:C[6]-4:	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2	C[6,6](C[6,6]C[6]2)(O[6]C[6,6])(C[6]C[6]C){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]HH)(CC[6a]H){2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)2{1|C<3>,2|C<4>,4|H<1>}	124.8470	0.000	1	124.8470	0.000	1	124.8470	0.000	1	124.8470	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:2:2:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-2:C-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(CN)	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(CN){3|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{3|C<2>}	116.5370	0.000	1	116.5370	0.000	1	116.5370	0.000	1	116.5370	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6,6]-3:S[6]-2:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a]){1|C<4>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|C<3>,1|N<3>,1|S<2>,2|N<2>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a]){1|H<1>,2|C<3>,2|N<2>}	122.2680	0.000	1	121.9800	0.166	2	121.9800	0.166	2	121.9800	0.166	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6,6]-3:S[6]-2:	C[5a,6]-3:C[6,6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a])	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H)	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a])	C[6,6](C[6]C[5a,6]H)(C[6,6]N[6]2)(S[6]C[6,6a]){1|C<4>,1|S<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]S[5a])(C[6,6]C[6,6]S[6])(H){1|C<3>,1|N<3>,1|S<2>,2|N<2>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[5a,6]C)(N[6]C[6,6a]){1|H<1>,1|N<2>,3|C<3>}	121.6920	0.000	1	121.9800	0.166	2	121.9800	0.166	2	121.9800	0.166	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)2	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)2{1|C<3>,1|C<4>,4|H<1>}	121.6850	0.000	1	121.6850	0.000	1	121.6850	0.000	1	121.6850	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:1:	4:3:3:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]O[6])(O){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|O<1>,6|C<3>}	124.0000	0.000	1	124.0000	0.000	1	124.0000	0.000	1	124.0000	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:2:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Pd)(CN)	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]){1|Pd<4>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Pd)(CN){3|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<3>,2|C<2>}	123.4690	0.000	1	123.4690	0.000	1	123.4690	0.000	1	123.4690	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	3:3:3:	3:2:2:	C[6]-3:C[6,6]-3:C[6]-2:	C[6,6]-3:C[5a]-3:C[6]-3:	C[6,6]-3:C[6]-2:C[6]-2:	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P)	C[6,6](C[6,6]C[6]2)(C[6]C[6])2	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|N<2>,1|N<3>,1|P<3>,2|C<2>}	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P){2|C<3>,4|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])2{1|C<2>,2|C<3>}	118.3990	0.000	1	118.3990	0.000	1	118.3990	0.000	1	118.3990	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	4:3:1:	3:2:3:	C[6,6]-3:C[6]-3:O[6]-2:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[6]-2:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(O[6]C[6,6a])	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]O[6])(H)	C[6,6](C[6,6]C[6]O[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(O[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]O[6])(H){1|H<1>,1|N<2>,6|C<3>}	C[6,6](C[6,6]C[6]O[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	122.8660	0.000	1	122.8660	0.000	1	122.8660	0.000	1	122.0150	1.448	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:2:	4:3:1:	3:2:3:	C[6,6]-3:C[6]-3:S[6]-2:	C[5,6]-4:C[6,6]-3:H-1:	C[6,6]-3:N[6]-2:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(S[6]C[6,6a])	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H)	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[5,6]H)(S[6]C[6,6a]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6,6]C[6,6]S[6])(H){1|H<1>,1|N<2>,6|C<3>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	121.1640	0.000	1	121.1640	0.000	1	121.1640	0.000	1	122.0150	1.448	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:2:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-2:H-1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]I){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6])(H){1|C<3>,1|H<1>,1|I<2>,2|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|I<2>,2|C<2>,3|H<1>}	118.4130	0.000	1	118.4130	0.000	1	118.4130	0.000	1	118.4130	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:2:2:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:O[6]-2:O-2:	C[6,6]-3:C[6]-2:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OCo)	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(C[6]O[6]O){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(O[6]C[6])(OCo){1|C<2>,1|C<3>,1|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]C[6]){1|C<3>,2|C<4>,3|O<2>}	117.4080	0.000	1	117.4080	0.000	1	117.4080	0.000	1	117.4080	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:2:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:H-1:	C[6,6]-3:C[6]-2:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]C[6,6]C[6])(N[6]B[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]B[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]B[6]C)(H){1|C<2>,1|C<3>,1|C<4>,1|F<1>,1|H<1>,1|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6])(O[6]B[6]){1|C<3>,1|C<4>,1|F<1>,1|N<3>,3|H<1>}	119.4360	0.000	1	119.4360	0.000	1	119.4360	0.000	1	119.8930	0.418	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:2:2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:C[6]-2:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a])(C[6]C[6])	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a])(C[6]C[6]){3|C<3>,3|H<1>}	120.3500	0.000	1	120.3500	0.000	1	120.3500	0.000	1	119.8930	0.418	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:2:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]2){1|O<1>,2|H<1>,3|C<4>,4|C<3>}	121.5160	0.000	1	121.5160	0.000	1	121.2950	0.098	2	121.2950	0.098	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:2:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]H)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|C<4>}	121.0740	0.000	1	121.0740	0.000	1	121.2950	0.098	2	121.2950	0.098	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:N[6]-2:	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]N[6])	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]N[6])(C[6]C[6,6a]O){1|N<3>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]2)(O){1|H<1>,1|N<2>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(N[6]N[6]){1|O<1>,5|C<3>}	117.4670	0.000	1	117.4670	0.000	1	117.4670	0.000	1	118.2990	1.119	10	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-2:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6]){2|H<1>,4|C<3>}	118.1220	0.000	1	118.1220	0.000	1	118.1220	0.000	1	118.2990	1.119	10	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6])	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Ru<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.4787	0.099	4	118.4251	1.318	8	118.4251	1.318	8	118.2990	1.119	10	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-2:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6])	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Ru<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(N[6]C[6]){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	117.3715	0.323	4	118.4251	1.318	8	118.4251	1.318	8	118.2990	1.119	10	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	117.4330	0.247	2	117.4330	0.061	2	117.4330	0.061	2	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pt)(C[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Pt<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pt)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	117.8070	0.000	1	117.8070	0.000	1	117.7337	0.052	3	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Zn<6>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]N){2|C<3>,3|H<1>}	117.4780	0.000	1	117.6970	0.096	2	117.7337	0.052	3	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Zn<6>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]N){2|C<3>,3|H<1>}	117.9160	0.000	1	117.6970	0.096	2	117.7337	0.052	3	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H){2|Cu<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	114.0490	0.000	1	114.0490	0.000	1	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2{1|C<4>,2|C<3>,3|H<1>}	116.4610	1.110	2	116.4610	1.232	2	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Co<4>,1|Co<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)2{2|H<1>,4|C<3>}	117.4790	0.167	2	117.8025	0.275	8	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Co<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)2{2|H<1>,4|C<3>}	117.4155	0.042	2	117.8025	0.275	8	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Co<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)2{2|C<3>,2|C<4>,2|H<1>}	118.5765	0.374	2	117.8025	0.275	8	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Co<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)2{2|H<1>,4|C<3>}	117.7390	0.202	2	117.8025	0.275	8	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<3>,1|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2{3|C<3>,3|H<1>}	118.6640	0.277	2	118.0855	0.173	19	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<3>,1|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2{3|C<3>,3|H<1>}	117.9270	0.107	2	118.0855	0.173	19	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<4>,1|Cu<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2{1|N<3>,2|C<3>,3|H<1>}	117.5990	0.000	1	118.0855	0.173	19	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<4>,1|Cu<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2{1|N<3>,2|C<3>,3|H<1>}	118.4380	0.000	1	118.0855	0.173	19	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2{2|C<3>,2|C<4>,2|H<1>}	118.0910	0.213	3	118.0855	0.173	19	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2{2|C<3>,2|H<1>,2|N<3>}	118.3760	0.058	2	118.0855	0.173	19	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2{2|C<3>,2|C<4>,2|H<1>}	117.3340	0.305	2	118.0855	0.173	19	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2{2|C<3>,2|H<1>,2|O<2>}	117.9450	0.325	2	118.0855	0.173	19	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2{2|C<3>,2|C<4>,2|H<1>}	118.2057	0.288	4	118.0855	0.173	19	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Fe)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Fe<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Fe)2{2|C<3>,2|C<4>,2|H<1>}	117.7990	0.334	2	117.7677	0.059	3	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Fe)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Fe<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Fe)2{2|C<3>,2|C<4>,2|H<1>}	117.7050	0.000	1	117.7677	0.059	3	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Ni<5>,1|Ni<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2{2|H<1>,4|C<3>}	117.2175	0.530	2	117.3893	0.439	24	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2{2|H<1>,4|C<3>}	116.7635	0.078	4	117.3893	0.439	24	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2{2|H<1>,4|C<3>}	117.2875	0.572	12	117.3893	0.439	24	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2{2|H<1>,4|C<3>}	117.4235	0.299	2	117.3893	0.439	24	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2{2|C<3>,2|H<1>,2|N<3>}	118.3890	0.345	4	117.3893	0.439	24	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Pd<3>,1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)2{2|H<1>,4|C<3>}	117.9545	0.227	4	118.0260	0.070	6	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Pd<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)2{3|C<3>,3|H<1>}	118.4270	0.000	1	118.0260	0.070	6	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Pd<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)2{3|C<3>,3|H<1>}	117.9110	0.000	1	118.0260	0.070	6	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Re)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Re<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Re)2{3|C<3>,3|H<1>}	119.1450	0.000	1	118.4470	0.974	2	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Re)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Re<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Re)2{3|C<3>,3|H<1>}	117.7490	0.000	1	118.4470	0.974	2	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(N[6]C[6]B)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Rh<7>,1|B<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(N[6]C[6]B){2|C<3>,2|C<4>,2|H<1>}	118.4765	0.105	2	118.4765	0.011	2	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Rh<4>,1|Rh<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)2{1|C<4>,2|C<3>,3|H<1>}	118.1090	0.256	2	118.1940	0.416	10	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Rh<4>,1|Rh<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)2{1|C<4>,2|C<3>,3|H<1>}	118.8135	0.521	2	118.1940	0.416	10	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Rh<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)2{3|C<3>,3|H<1>}	118.0063	1.069	3	118.1940	0.416	10	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Rh<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)2{3|C<3>,3|H<1>}	118.0253	0.268	3	118.1940	0.416	10	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2{1|C<4>,2|C<3>,3|H<1>}	119.5675	1.771	2	118.6045	0.475	33	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2{1|N<3>,2|C<3>,3|H<1>}	117.4950	0.000	1	118.6045	0.475	33	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2{3|C<3>,3|H<1>}	118.7788	0.544	15	118.6045	0.475	33	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2{3|C<3>,3|H<1>}	118.3758	0.506	15	118.6045	0.475	33	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,3|C<3>,3|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2{1|N<3>,2|C<3>,3|H<1>}	117.8200	0.000	1	117.8200	0.000	1	118.0124	0.727	111	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6,6]-3:C[6]-3:	C[5a,6]-3:C[6,6]-3:H-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6,6]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	120.1740	0.000	1	120.1740	0.000	1	120.1740	0.000	1	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<1>,5|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|H<1>,2|O<1>,3|C<3>}	121.0750	0.000	1	121.0750	0.000	1	121.0750	0.000	1	118.0397	0.812	118	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]O[6]HO){1|H<1>,1|O<1>,3|C<3>}	119.9840	0.000	1	119.9840	0.000	1	121.1030	1.299	3	121.1030	1.299	3	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]2H){2|C<4>,2|O<1>,3|C<3>,3|H<1>}	121.6625	0.848	2	121.6625	0.719	2	121.1030	1.299	3	121.1030	1.299	3	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:4:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[3x6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[3x6]H)(C[6]C[6]O)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3x6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[3x6]H)(C[6]C[6]O){3|C<4>,4|H<1>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6,6]C[6,6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(O[6]C[3x6]){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	118.8200	0.000	1	118.8200	0.000	1	118.8200	0.000	1	118.8200	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	3:4:3:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(N[6]C[6]Ru)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|Ru<6>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]HH)(N[6]C[6]Ru){2|H<1>,4|C<3>}	119.0630	0.457	3	119.0630	0.209	3	119.0630	0.209	3	119.0630	0.209	3	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	4:3:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6]C[6,6a]CC)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	120.0450	0.000	1	120.0450	0.000	1	120.0450	0.000	1	120.0450	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6]NiH)(C[6,6]C[6]2)(N[6]C[6]Ni)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Ni<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[6]C[6]NiH)(C[6,6]C[6]2)(N[6]C[6]Ni){2|C<3>,4|H<1>}	118.7300	0.000	1	118.1160	0.754	2	118.1160	0.754	2	118.1160	0.754	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6]NiH)(C[6,6]C[6]2)(N[6]C[6]Ni)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Ni<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[6]C[6]NiH)(C[6,6]C[6]2)(N[6]C[6]Ni){2|C<3>,4|H<1>}	117.5020	0.000	1	118.1160	0.754	2	118.1160	0.754	2	118.1160	0.754	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	5:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-5:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6]OYY)(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Y<14>,1|O<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|N<3>}	C[6,6](C[6]C[6]OYY)(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	117.8370	0.000	1	117.8370	0.000	1	116.9555	1.554	2	116.9555	1.554	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:1:	5:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-5:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6]Yb2O)(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Yb<14>,1|O<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|N<3>}	C[6,6](C[6]C[6]Yb2O)(C[6,6]C[6]2)(N[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	116.0740	0.000	1	116.0740	0.000	1	116.9555	1.554	2	116.9555	1.554	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:3:	3:2:3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:O[6]-2:C[6]-3:	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<2>,1|O<2>,3|H<1>,6|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	119.2140	0.000	1	119.2140	0.000	1	119.2140	0.000	1	119.2140	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:N[6]-3:C[6]-2:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6])	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|N<3>,2|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]C)(C[6]C[6]){2|H<1>,4|C<3>}	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	119.1040	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6]-3:C[6a]-3:N[6]-3:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C)	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(N[6]C[6]C){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]N[6])(C[6a]C[6a]2)(N[6]C[6]H){1|N<3>,1|O<2>,2|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(N[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	120.6420	0.000	1	120.6420	0.000	1	120.6420	0.000	1	120.4477	0.048	3	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]N[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](N[6]C[6,6a]Rh)(C[6,6]C[6]2)(N[6]C[6]Rh)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]N[6]2)(C[6]C[6]H){1|Rh<4>,1|Rh<5>,1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|N<2>,2|N<3>,4|C<3>,4|H<1>}	C[6,6](N[6]C[6,6a]Rh)(C[6,6]C[6]2)(N[6]C[6]Rh){1|H<1>,1|N<2>,4|C<3>}	120.4890	0.000	1	120.4890	0.000	1	120.4890	0.000	1	120.4477	0.048	3	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6,6]-3:C[6]-3:	N[5a,6]-3:C[6,6]-3:C-3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O)	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6,6]C[6,6]C[6])(CC[6a]O){1|H<1>,1|O<1>,5|C<3>}	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	120.2120	0.000	1	120.2120	0.000	1	120.2120	0.000	1	120.4477	0.048	3	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:3:	3:4:2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6a]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6])	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,1|W<6>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(O[6]C[6]){1|W<6>,2|H<1>,4|C<3>}	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1	116.5490	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	120.9190	0.000	1	120.9190	0.000	1	120.9190	0.000	1	122.0450	2.536	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	P[6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]P[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](P[6]C[6,6a]C[6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]P[6])(C[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|P<4>,2|C<4>,2|H<1>,6|C<3>}	C[6,6](P[6]C[6,6a]C[6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,6|C<3>}	123.1710	0.000	1	123.1710	0.000	1	123.1710	0.000	1	122.0450	2.536	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	118.3505	0.394	2	118.3505	0.155	2	118.3505	0.155	2	118.2160	3.552	5	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H){1|Co<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)2{1|H<1>,1|N<3>,2|C<3>,2|C<4>}	116.6160	0.552	2	116.6160	0.304	2	118.1263	6.995	3	118.2160	3.552	5	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	3:3:4:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H){2|Cu<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Cu)2{1|H<1>,1|N<2>,2|C<3>,2|C<4>}	121.1470	0.000	1	121.1470	0.000	1	118.1263	6.995	3	118.2160	3.552	5	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	4:3:1:	3:4:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]O)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6,6]C[6,6]C[6])(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6,6]){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	120.1480	0.160	2	120.1480	0.026	2	120.1480	0.026	2	120.1480	0.026	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:3:	4:3:1:	4:3:2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6,6]-3:O-1:	C[6,6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6,6]O)(C[6]C[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,6|C<4>}	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CC){1|C<4>,2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|H<1>,1|O<2>,2|C<4>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,3|C<4>,4|C<3>}	118.2630	0.000	1	118.2630	0.000	1	120.2273	1.053	6	120.2273	1.053	6	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	120.9380	0.000	1	120.9380	0.000	1	120.2273	1.053	6	120.2273	1.053	6	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]ClH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]ClH){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|Cl<1>,1|C<4>,1|H<1>,2|O<2>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,3|C<4>}	120.1640	0.000	1	120.1640	0.000	1	120.2273	1.053	6	120.2273	1.053	6	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	120.7760	0.000	1	120.7760	0.000	1	120.2273	1.053	6	120.2273	1.053	6	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HN){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|N<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|H<1>,1|N<4>,1|O<1>,2|C<3>,3|C<4>}	120.2220	0.000	1	120.2220	0.000	1	120.2273	1.053	6	120.2273	1.053	6	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	3:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]N[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]N[6]HH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|N<3>,1|O<1>,2|C<3>,4|H<1>}	121.0010	0.000	1	121.0010	0.000	1	120.2273	1.053	6	120.2273	1.053	6	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]H)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H)	C[6,6](N[6]C[6,6a]Fe)(C[6,6]C[6]2)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]H)(C[6]C[6]HH){1|Fe<5>,1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6,6](N[6]C[6,6a]Fe)(C[6,6]C[6]2)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	117.3560	0.000	1	117.3560	0.000	1	117.3560	0.000	1	118.8375	4.390	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-3:C[6,6]-3:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]O)(C[6]C[6]CH){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(N[6]C[6]H){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	120.3190	0.000	1	120.3190	0.000	1	120.3190	0.000	1	118.8375	4.390	2	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]CH){1|O<1>,2|H<1>,4|C<3>}	121.3360	0.000	1	121.3360	0.000	1	121.3360	0.000	1	121.3360	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:1:	4:3:2:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-4:C[6,6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]CO)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]HH){1|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6,6a]CO)(C[6,6]C[6]2)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	119.6340	0.000	1	119.6340	0.000	1	119.6340	0.000	1	119.6340	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<2>,1|C<4>,3|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,4|H<1>,5|C<3>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,4|H<1>}	126.6780	0.000	1	126.6780	0.000	1	126.6780	0.000	1	121.3220	13.350	4	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:N[6]-3:C[6,6]-3:	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6a]Cu)(C[6,6]C[6]2)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6a]C[6a])(C[6]C[6]HH){1|Cu<4>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6a]C[6a]2){1|C<4>,1|N<3>,5|C<3>,5|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(N[6]C[6,6a]Cu)(C[6,6]C[6]2){1|C<4>,2|H<1>,5|C<3>}	118.9895	0.070	2	118.9895	0.005	2	118.9895	0.005	2	121.3220	13.350	4	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6,6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O)	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>,2|S<2>}	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	120.6310	0.000	1	120.6310	0.000	1	120.6310	0.000	1	121.3220	13.350	4	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|Cl<1>,1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>,4|H<1>}	125.0320	0.000	1	124.9973	0.072	3	124.9973	0.072	3	123.6055	7.797	4	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){1|N<3>,1|O<2>,2|C<4>,4|C<3>,4|H<1>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,1|O<2>,3|C<3>,4|H<1>}	124.7140	0.000	1	124.9973	0.072	3	124.9973	0.072	3	123.6055	7.797	4	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6a]-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2)	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]N[6])(C[6]C[6]HH){1|Ge<3>,1|C<4>,4|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(N[6]C[6a]Ge[6])(C[6a]C[6a]2){2|C<4>,2|N<3>,4|C<3>,4|H<1>}	C[6,6](N[6]C[6a]Ge[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,2|N<3>,3|C<3>,4|H<1>}	125.2460	0.000	1	124.9973	0.072	3	124.9973	0.072	3	123.6055	7.797	4	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6a]-3:C[6,6]-3:N-3:	N[6]-3:C[6,6]-3:C[6]-4:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]N)(C[6]C[6]HH){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(NC[6a]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	119.4300	0.000	1	119.4300	0.000	1	119.4300	0.000	1	123.6055	7.797	4	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CN)(N[6]C[6]Cd)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH){1|Cd<5>,1|N<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CN)(N[6]C[6]Cd){1|C<4>,3|H<1>,4|C<3>}	117.5120	0.000	1	117.5120	0.000	1	117.5120	0.000	1	117.5120	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	3:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6a]-3:C[6,6]-3:C[6]-3:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]O)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,2|C<4>,4|C<3>,7|H<1>}	119.4410	0.000	1	119.4410	0.000	1	119.4410	0.000	1	119.4410	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:3:4:	4:3:1:	3:4:3:	C[6]-3:C[6,6]-3:C[6]-4:	C[4,4,6]-4:C[6,6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[4,4,6]O[5x4]2C[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O)	C[6,6](C[6]C[4,4,6]H)(C[6,6]C[6]2)(C[6]C[6]HH){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|O<3>,3|H<1>}	C[6](C[4,4,6]O[5x4]2C[6])(C[6,6]C[6,6]C[6])(H){1|C<3>,1|O<2>,2|C<4>,2|C<6>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O){1|O<2>,3|C<4>,3|H<1>}	118.5500	0.000	1	118.5500	0.000	1	118.5500	0.000	1	118.5500	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N){1|C<3>,2|C<4>,4|H<1>}	118.1320	0.000	1	118.0935	0.003	2	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N){1|C<3>,3|C<4>,3|H<1>}	118.0550	0.000	1	118.0935	0.003	2	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Co)(C[6]C[6]N){2|C<3>,3|C<4>,3|H<1>}	117.0440	0.000	1	117.0440	0.000	1	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	117.0200	0.000	1	117.0200	0.000	1	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]C)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]C){1|C<3>,1|C<4>,6|H<1>}	118.3269	0.586	9	118.3269	0.343	9	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Mg)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Mg<5>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Mg)(C[6]C[6]N){1|C<3>,2|C<4>,4|H<1>}	118.4870	0.225	2	118.4870	0.051	2	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	116.1680	0.000	1	116.8614	1.095	12	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	117.4007	0.639	3	116.8614	1.095	12	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,3|C<4>,4|H<1>}	117.5590	0.010	2	116.8614	1.095	12	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,2|C<4>,5|H<1>}	116.3680	0.164	2	116.8614	1.095	12	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	116.5282	1.627	4	116.8614	1.095	12	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	116.6353	0.196	3	116.6165	0.069	6	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pd)(C[6]C[6]N){1|C<4>,2|C<3>,5|H<1>}	116.5977	0.365	3	116.6165	0.069	6	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]N)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]N){1|C<3>,1|C<4>,6|H<1>}	117.3570	0.000	1	117.3570	0.000	1	117.3988	1.021	34	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|Ni<3>,1|Ni<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ni)2{3|H<1>,4|C<3>}	118.5280	0.000	1	118.5280	0.000	1	118.7185	0.073	2	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:N[6]-3:	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){2|Ru<5>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)2{1|C<4>,3|C<3>,4|H<1>}	118.9090	0.000	1	118.9090	0.000	1	118.7185	0.073	2	117.4721	1.058	36	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:3:4:	3:3:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	117.2720	0.000	1	117.2720	0.000	1	117.2720	0.000	1	117.2720	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[3x6]){1|H<1>,2|O<1>,5|C<4>}	119.0510	0.117	2	119.0510	0.014	2	119.6557	0.591	15	119.6557	0.591	15	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[5,6]){1|H<1>,2|O<1>,5|C<4>}	118.9215	0.571	2	118.9215	0.326	2	119.6557	0.591	15	119.6557	0.591	15	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){1|H<1>,2|O<1>,5|C<4>}	119.3170	0.639	5	119.8406	0.566	10	119.6557	0.591	15	119.6557	0.591	15	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){1|H<1>,2|O<1>,5|C<4>}	120.3642	0.425	5	119.8406	0.566	10	119.6557	0.591	15	119.6557	0.591	15	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:	3:4:2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:O-1:	C[6,6]-3:C[6]-4:O[6]-2:	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]CC)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CC)(O[6]C[6]){2|H<1>,2|O<1>,4|C<4>}	120.4840	0.000	1	120.4840	0.000	1	119.6557	0.591	15	119.6557	0.591	15	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	3:4:3:	3:4:1:	3:4:3:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-4:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]CC)(H){1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]O[6]O){2|C<4>,5|H<1>}	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	118.5450	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:1:	3:3:2:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:O-1:	C[6]-3:C[6,6]-3:O[6]-2:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6])	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]O[6])(C[6]C[6,6a]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(O){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	120.8697	0.766	3	120.8697	0.587	3	120.8697	0.587	3	120.8697	0.587	3	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:1:	3:3:3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	118.6480	0.000	1	118.6480	0.000	1	118.6480	0.000	1	118.6480	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6,6]	4:3:3:	3:3:1:	3:4:3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:N[6]-3:	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HH)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	117.8050	0.000	1	117.8050	0.000	1	117.8050	0.000	1	117.8050	0.000	1	118.6552	3.078	251	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	124.2700	0.000	1	124.3674	0.846	5	124.3674	0.846	5	124.3674	0.846	5	124.3674	0.846	5	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Fe<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	124.5900	0.000	1	124.3674	0.846	5	124.3674	0.846	5	124.3674	0.846	5	124.3674	0.846	5	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.0440	0.472	2	124.3674	0.846	5	124.3674	0.846	5	124.3674	0.846	5	124.3674	0.846	5	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6,6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<6>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	122.8890	0.000	1	124.3674	0.846	5	124.3674	0.846	5	124.3674	0.846	5	124.3674	0.846	5	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[3x6]	3:3:1:	4:3:3:	4:3:3:	C[3x6]-3:C[3x6]-3:O-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6](C[3x6]C[3x6]2)2(O)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O)	C[6](C[3x6]C[3x6]2)2(O){2|C<4>,2|H<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[3x6]O){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	115.3588	0.257	5	115.3588	0.066	5	115.3588	0.066	5	115.3588	0.066	5	115.3588	0.066	5	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6,6]	3:3:1:	4:4:3:	3:3:3:	C[3x6]-3:C[6,6]-3:H-1:	C[3x6]-4:C[4,6,6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[3x6]C[4,6,6]C[3x6])(C[6,6]C[6,6]C[6])(H)	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6,6]H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[3x6]H)(C[6]C[6]O)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6,6]C[6,6]C[6])(H){1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[3x6](C[3x6]C[6,6]O[6]H)(C[4,6,6]C[4,6]2H)(C[6]C[6,6]H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[3x6]H)(C[6]C[6]O){3|C<4>,4|H<1>}	119.4830	0.000	1	119.4830	0.000	1	119.4830	0.000	1	119.4830	0.000	1	119.4830	0.000	1	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	N[3x6]-3:P[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]N[3x6]P[3x6])(C[6]C[6]H)(H)	C[3x6](N[3x6]As[3x6]C[6])(P[3x6]C[3x6]2)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[3x6]N[3x6]P[3x6])(C[6]C[6]H)(H){1|As<3>,1|H<1>,3|C<3>}	C[3x6](N[3x6]As[3x6]C[6])(P[3x6]C[3x6]2)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<3>}	119.6615	0.121	2	119.6615	0.015	2	119.6615	0.015	2	119.6615	0.015	2	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	C[3x6](N[3x6]Nb[3,3,3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>,3|C<4>}	C[3x6](N[3x6]Nb[3,3,3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|C<4>,1|N<2>,3|N<3>,6|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.1988	0.374	4	120.1988	0.140	4	119.9142	0.383	6	118.2938	4.599	10	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>,3|C<4>}	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|C<3>,1|N<2>,1|O<2>,2|N<3>,6|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.8570	0.000	1	119.3450	0.524	2	119.9142	0.383	6	118.2938	4.599	10	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	N[3x6]-3:C[3x6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>,3|C<4>}	C[3x6](N[3x6]Nb[3x6]C[6])(C[3x6]C[6,6]2C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|N<2>,3|N<3>,6|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.8330	0.000	1	119.3450	0.524	2	119.9142	0.383	6	118.2938	4.599	10	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[3x6]-3:C[6]-3:O-1:	C[3x6]-3:C[3x6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[3x6]C[6])(C[3x6]C[3x6]2H)(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	115.8632	0.174	4	115.8632	0.030	4	115.8632	0.030	4	118.2938	4.599	10	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	3:4:3:	3:3:3:	C[3x6]-3:C[6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(N[6]C[6]Os)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H){1|Os<6>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(N[6]C[6]Os){1|C<4>,2|H<1>,3|C<3>}	119.7312	0.727	6	119.7312	0.528	6	120.4815	1.398	10	120.4502	0.749	27	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	3:4:3:	3:3:3:	C[3x6]-3:C[6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(N[6]C[6]Pt)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]N[6])(H){1|Pt<4>,1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(N[6]C[6]Pt){1|C<4>,2|H<1>,3|C<3>}	121.6070	0.705	4	121.6070	0.498	4	120.4815	1.398	10	120.4502	0.749	27	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	3:4:3:	3:3:3:	C[3x6]-3:C[6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6a]C[6a]2)(N[6]C[6]Pt)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H){1|Pt<4>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]H)(C[6a]C[6a]2)(N[6]C[6]Pt){1|C<4>,2|H<1>,3|C<3>}	120.9598	0.786	6	120.9598	0.618	6	120.7184	0.481	10	120.4502	0.749	27	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	3:4:3:	3:3:3:	C[3x6]-3:C[6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6a]C[6a]2)(N[6]C[6]Ru)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H){1|Ru<6>,2|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]H)(C[6a]C[6a]2)(N[6]C[6]Ru){1|C<4>,2|H<1>,3|C<3>}	120.3563	0.349	4	120.3563	0.122	4	120.7184	0.481	10	120.4502	0.749	27	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	3:4:3:	3:3:3:	C[3x6]-3:C[6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6a]N[6])(H){1|N<2>,2|C<3>,2|C<4>,3|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[3x6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	120.0224	0.307	7	120.0224	0.095	7	120.0224	0.095	7	120.4502	0.749	27	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[3x6]-3:C[6]-3:H-1:	C[3x6]-3:C[6,6]-4:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[3x6]C[3x6]C[6,6])(C[6]N[6]C)(H)	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(N[6]C[6]Fe)(CN[5]HH)	C[6](C[3x6]C[3x6]C[6,6])(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[4,6,6]C[6])(C[6,6]C[4,6,6]HH)(C[6]C[6]H){1|N<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]H)(N[6]C[6]Fe)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	120.0083	1.043	4	120.0083	1.088	4	120.0083	1.088	4	120.0083	1.088	4	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>}	C[3x6](C[3x6]C[6,6,6a]2C)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	120.6305	0.847	4	120.6305	0.717	4	120.1709	0.580	8	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	119.7113	0.271	4	119.7113	0.074	4	120.1709	0.580	8	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[3x6]-4:N[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	C[3x6](C[3x6]Ge[4,6,6]P[6,6]H)(N[3x6]Ge[3x6]C[6])(C[6]C[6]H){1|H<1>,2|C<3>,2|N<3>,3|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	119.0110	0.000	1	119.0110	0.000	1	119.0110	0.000	1	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]N[6]C)(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<5>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[3x6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|C<4>}	119.5782	0.230	4	119.5782	0.053	4	119.4969	2.142	14	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<5>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H){1|Mn<5>,1|C<4>,1|N<3>,2|C<3>}	119.6863	1.029	3	119.4643	3.072	10	119.4969	2.142	14	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Mn<6>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>}	118.8690	0.014	2	119.4643	3.072	10	119.4969	2.142	14	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Re<6>,1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	119.6820	2.849	4	119.4643	3.072	10	119.4969	2.142	14	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[4,6,6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[3x6](C[4,6,6]C[4,6]2H)(C[3x6]C[6,6]N[6])(C[6]C[6]H){1|Re<6>,1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	119.1180	0.000	1	119.4643	3.072	10	119.4969	2.142	14	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[5,3x6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[5,3x6]C[3x6])(C[6]C[6]H)(H)	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[5,3x6]C[3x6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[3x6](C[5,3x6]C[6,6,6a]C[5,6,6]C[5])(C[3x6]C[3x6]C[6])(C[6]C[6]H){1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	118.5010	0.000	1	118.5010	0.000	1	118.5010	0.000	1	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:O-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[3x6](C[3x6]C[3x6]C[6,6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|C<3>,1|O<1>,1|S<2>,2|C<4>,5|H<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	115.2030	0.882	2	115.2030	0.779	2	116.5616	1.993	5	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:O-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[6,6,6a]2H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	118.2810	0.000	1	118.2810	0.000	1	116.5616	1.993	5	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:O-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|H<1>,2|C<4>,3|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]C)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	117.2150	0.000	1	117.2150	0.000	1	116.5616	1.993	5	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:O-1:	C[3x6]-4:C[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[3x6](C[3x6]C[6,6,6a]C[5,3x6]H)(C[3x6]C[3x6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	116.9060	0.000	1	116.9060	0.000	1	116.5616	1.993	5	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[3x6]-3:C[6]-3:O-1:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]H)(O)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|N<2>,2|H<1>,5|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<2>}	115.0360	0.000	1	115.0360	0.000	1	115.0360	0.000	1	118.9893	3.448	30	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[3x6]-3:C[6]-3:O-1:	C[3x6]-4:C[4x6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]C)(O)	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O)	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(CH3)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[3x6](C[3x6]C[6,6,6a]C[6,6]H)(C[4x6]C[4x6]C[6,6])(C[6]C[6]O){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	116.8490	0.000	1	116.8490	0.000	1	116.8490	0.000	1	116.8490	0.000	1	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]O)(H)	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[3x6](C[3x6]C[6,6a]C[6]2)(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O){1|H<1>,2|C<4>}	122.8730	0.000	1	122.8730	0.000	1	122.8730	0.000	1	122.1742	0.717	5	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6]H)(H)	C[3x6](C[4x6]C[5,6]C[6,6]2)(C[6,6]C[5,3x6]CO)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]H)(H)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6]H)(H){1|O<2>,2|C<3>,4|C<4>}	C[3x6](C[4x6]C[5,6]C[6,6]2)(C[6,6]C[5,3x6]CO)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[3x6]H)(H){1|H<1>,1|O<1>,4|C<4>}	121.0960	0.000	1	121.0960	0.000	1	121.0960	0.000	1	122.1742	0.717	5	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[5,3x6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[5,3x6]C[6,6])(C[6]C[6]H)(H)	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(H)	C[6](C[3x6]C[5,3x6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[3x6](C[5,3x6]C[5,6,6a]C[5,6]C[6])(C[6,6]C[6]N[6]H)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,2|C<4>}	121.6240	0.000	1	121.6240	0.000	1	121.6240	0.000	1	122.1742	0.717	5	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[3x6]-3:C[6]-3:H-1:	C[5x6]-4:Si[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]Si[6,6]C[5x6])(C[6]C[6]H)(H)	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(Si[6,6]C[3x6]CC)(C[6]C[6]H)	C[6](C[6]C[3x6]H)(C[6]C[6,6]H)(H)	C[6](C[3x6]Si[6,6]C[5x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,5|C<4>}	C[3x6](C[5x6]C[5,6,6]C[3x6]C[6,6])(Si[6,6]C[3x6]CC)(C[6]C[6]H){3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[3x6]H)(C[6]C[6,6]H)(H){1|Si<4>,1|H<1>,2|C<4>}	123.1310	0.000	1	123.1310	0.000	1	123.1310	0.000	1	122.1742	0.717	5	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[3x6]-3:C[6]-3:I-1:	C[4x6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]O)(I)	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]I)	C[6](C[6]C[3x6]I)(C[6]N[6,6]O)(O)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]O)(I){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[3x6](C[4x6]C[6,6]N[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]I){1|O<1>,2|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[3x6]I)(C[6]N[6,6]O)(O){3|C<4>}	122.1470	0.000	1	122.1470	0.000	1	122.1470	0.000	1	122.1742	0.717	5	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:2:	4:4:3:	4:3:1:	C[3x6]-3:C[6]-3:O-2:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:O-1:	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6,6]O)(OH)	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]O)	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]O)(O)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[5,6,6]O)(OH){2|C<3>,6|C<4>}	C[3x6](C[6,6]C[3x6]CC)(C[4x6]C[6,6]3)(C[6]C[6]O){1|O<2>,2|O<1>,3|C<4>,4|H<1>}	C[6](C[5,6,6]C[5,6]C[6,6]C[5])(C[6]C[3x6]O)(O){1|O<1>,3|H<1>,5|C<4>}	123.0500	0.000	1	123.0500	0.000	1	123.0500	0.000	1	123.0500	0.000	1	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[3x6]	C[6]	3:3:4:	4:4:3:	3:2:1:	C[3x6]-3:C[6]-3:C-4:	C[6,6]-4:C[4x6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH)	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C)	C[6](C[6]C[3x6]C)(O[6]C[6])(O)	C[6](C[3x6]C[4x6]C[6,6])(C[6]O[6]O)(CC[6a]HH){1|H<1>,2|C<3>,3|C<4>}	C[3x6](C[6,6]C[4x6]C[6a]H)(C[4x6]C[6,6]2C[6])(C[6]C[6]C){1|C<4>,1|O<1>,1|O<2>,4|H<1>,5|C<3>}	C[6](C[6]C[3x6]C)(O[6]C[6])(O){2|C<4>,2|H<1>}	119.9685	0.257	2	119.9685	0.066	2	119.9685	0.066	2	119.9685	0.066	2	119.6931	3.305	82	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:S[6]-2:	C[6,6]-3:C[6]-3:S[6]-2:	C[6](C[6,6]C[6,6]S[6])2(O)	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6])	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6])	C[6](C[6,6]C[6,6]S[6])2(O){1|C<3>,2|C<4>,2|S<2>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6,6](C[6,6]C[6]S[6])(C[6]C[6,6]O)(S[6]C[6]){1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	120.8510	0.000	1	120.8510	0.000	1	120.8510	0.000	1	120.8510	0.000	1	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6a]N[6,6])2(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])2(H){2|B<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[3x6]C[6])(C[6]C[6,6]H){1|N<3>,2|H<1>,3|C<3>,3|C<4>}	121.5840	0.406	2	121.5840	0.165	2	120.8993	1.489	3	121.5427	5.086	7	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6](C[6,6]C[6,6a]N[6,6])2(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H)	C[6](C[6,6]C[6,6a]N[6,6])2(H){2|B<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6,6]H){1|C<4>,1|N<3>,2|H<1>,5|C<3>}	119.5300	0.000	1	119.5300	0.000	1	120.8993	1.489	3	121.5427	5.086	7	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6,6]N[6,6]C[6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6,6]H){1|H<1>,1|N<3>,2|F<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	124.4880	0.000	1	124.4880	0.000	1	124.4880	0.000	1	121.5427	5.086	7	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])2(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H){2|B<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	120.9560	0.000	1	120.9560	0.000	1	122.6080	5.458	2	121.5427	5.086	7	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])2(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(H){1|B<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	124.2600	0.000	1	124.2600	0.000	1	122.6080	5.458	2	121.5427	5.086	7	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(O){1|C<4>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	118.3970	0.000	1	118.3970	0.000	1	118.3970	0.000	1	121.5427	5.086	7	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:H-1:	C[3x6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[3x6]C[6])(C[6,6]C[6,6]C[6])(H)	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC)	C[6](C[6,6]C[3x6]C[6])(C[6,6]C[6,6]C[6])(H){9|C<4>}	C[6,6](C[3x6]C[4,4,6,6]C[6,6])(C[6]C[6,6]H)(C[6]C[6]CC){1|C<3>,2|H<1>,6|C<4>}	C[6,6](C[6,6]C[4,4,6,6]C[6])(C[6]C[6,6]H)(C[6]C[6]CC){2|C<3>,2|H<1>,5|C<4>}	123.2090	0.000	1	123.2090	0.000	1	123.2090	0.000	1	121.3490	1.293	8	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Co<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Co<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	121.9890	0.000	1	121.0833	0.850	7	121.0833	0.850	7	121.3490	1.293	8	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])2(H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Fe<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Fe<5>,1|C<3>,1|N<3>,2|C<4>,2|H<1>}	120.1857	0.457	3	121.0833	0.850	7	121.0833	0.850	7	121.3490	1.293	8	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])2(H){1|N<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|P<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,1|O<1>,1|P<4>,2|C<4>,3|H<1>}	122.0490	0.000	1	121.0833	0.850	7	121.0833	0.850	7	121.3490	1.293	8	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])2(H){1|N<3>,4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Mn<7>,1|C<3>,1|N<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6]H)(C[6]C[6]HH){1|Mn<7>,1|C<3>,1|N<4>,2|C<4>,3|H<1>}	121.4940	0.414	2	121.0833	0.850	7	121.0833	0.850	7	121.3490	1.293	8	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	3:4:3:	4:3:2:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:N[6]-2:	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]N[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6,6]H)	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6]H)(N[6]C[6,6a])	C[6](C[6,6]C[6,6a]C[6,6])(C[6,6]C[6,6]N[6])(H){2|C<4>,3|C<3>,3|O<2>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6,6]H){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]O[6]O)(C[6]C[6,6]H)(N[6]C[6,6a]){1|C<4>,2|H<1>,3|C<3>}	123.0050	0.000	1	123.0050	0.000	1	123.0050	0.000	1	123.0050	0.000	1	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]O)	C[6](C[6,6]C[5,6,6]C[6])2(H){1|H<1>,1|O<1>,1|O<2>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]O){1|C<3>,3|C<4>,6|H<1>}	123.1610	0.000	2	123.1610	0.000	2	123.1610	0.000	2	120.2010	29.861	6	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	123.8100	0.000	1	124.0955	0.163	2	124.0955	0.163	2	120.2010	29.861	6	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])2(H){2|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	124.3810	0.000	1	124.0955	0.163	2	124.0955	0.163	2	120.2010	29.861	6	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6,6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])2(O)	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O)	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O)	C[6](C[6,6]C[6,6]C[6])2(O){2|C<3>,2|C<4>,2|H<1>,3|O<2>}	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O){1|C<4>,3|C<3>}	C[6,6](C[6,6]O[6]2C)(C[6]C[6,6a]H)(C[6]C[6,6]O){1|C<4>,3|C<3>}	113.3465	2.705	2	113.3465	7.315	2	113.3465	7.315	2	120.2010	29.861	6	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	4:3:4:	4:3:3:	C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])2(H){1|C<3>,1|O<2>,3|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<3>,4|C<4>,5|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	122.1920	0.000	1	122.1920	0.000	1	122.2860	0.018	2	122.2860	0.018	2	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:1:	4:3:4:	4:3:3:	C[6,6]-3:C[6,6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-4:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])2(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO)	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])2(H){2|H<1>,2|O<2>,6|C<4>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]HO){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6,6](C[5,6,6]C[5,6]O[5,6]C[5])(C[6]C[6,6]H)(C[6]C[6]H){5|C<4>,5|H<1>}	122.3800	0.000	1	122.3800	0.000	1	122.2860	0.018	2	122.2860	0.018	2	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])2(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	124.2675	0.023	2	123.9613	0.150	4	123.9613	0.150	4	123.9613	0.150	4	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])2(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,2|F<1>,2|N<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	123.8470	0.000	1	123.9613	0.150	4	123.9613	0.150	4	123.9613	0.150	4	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:2:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:C-2:	N[6,6]-3:C[6]-3:C[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])2(CN)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(CN){1|B<4>,2|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	123.4630	0.000	1	123.9613	0.150	4	123.9613	0.150	4	123.9613	0.150	4	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:	3:3:2:	3:3:2:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6])	C[6](C[6,6]C[6,6]C[6])2(C[6]C[6]2){1|O<2>,3|C<2>,4|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){1|C<4>,2|C<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]C[6])(C[6]C[6]){2|C<2>,4|C<3>}	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	120.0460	0.000	1	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-3:	C[6]-3:N[6,6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])2(C[6]C[6,6]2)	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])2(C[6]C[6,6]2){1|B<4>,2|H<1>,2|N<3>,6|C<3>}	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	120.6935	0.124	2	120.6935	0.015	2	120.6935	0.015	2	120.6935	0.015	2	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6,6]	3:3:3:	3:3:4:	3:3:4:	C[6,6]-3:C[6,6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6,6]-3:C[6]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])2(C[6a]C[6a]2){1|N<3>,2|C<4>,4|C<3>,6|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH){1|Pt<4>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6,6]C[6a])(C[6]C[6]HH){1|Pt<4>,1|C<4>,1|N<3>,2|H<1>,4|C<3>}	120.3910	0.000	1	120.3910	0.000	1	120.3910	0.000	1	120.3910	0.000	1	121.4816	7.264	33	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6]-3:C[6]-2:N-3:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6])(NCC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H){3|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6])(NCC){1|C<3>,1|H<1>,1|O<2>}	119.1770	0.000	1	119.1770	0.000	1	119.1770	0.000	1	119.1770	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:2:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]O[6])(C[6]O[6]C)(H){1|C<4>,2|C<3>}	C[6,6](C[6,6]C[6]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|C<3>,1|O<2>,2|H<1>}	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[4x6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]H)(H)	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<2>}	121.8360	0.000	1	121.8360	0.000	1	121.8360	0.000	1	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6,6a])(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	121.7015	0.807	2	121.7015	0.651	2	121.7015	0.651	2	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(O[6]C[5,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6])(O[6]C[5,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	117.9472	0.569	4	117.9472	0.323	4	117.9472	0.323	4	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[5,6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[5,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.7287	0.167	3	120.7287	0.028	3	120.8254	0.040	5	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(N[6]C[6,6])(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.9705	0.186	2	120.9705	0.035	2	120.8254	0.040	5	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.0554	0.411	5	120.1837	0.234	6	120.7539	0.496	14	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5,6])(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.8250	0.000	1	120.1837	0.234	6	120.7539	0.496	14	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Cl<1>,1|N<2>,1|N<3>}	121.0470	0.000	1	120.8310	0.093	2	120.7539	0.496	14	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.6150	0.000	1	120.8310	0.093	2	120.7539	0.496	14	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.8150	0.000	1	120.8150	0.000	1	120.7539	0.496	14	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6,6])(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.8985	0.350	2	120.8985	0.123	2	120.7539	0.496	14	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.6210	0.392	2	121.7263	0.110	3	120.7539	0.496	14	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(N[6]C[6,6a])(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.9370	0.000	1	121.7263	0.110	3	120.7539	0.496	14	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:O[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]O[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]O[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	117.9840	0.000	1	117.9840	0.000	1	117.9840	0.000	1	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2)(O[6]C[3x6])(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2)(O[6]C[3x6])(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	117.0870	0.000	1	117.0870	0.000	1	117.0870	0.000	1	120.2422	2.093	28	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	C[6,6,6a]-3:O[6]-2:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,5,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6a]O[6])(H){1|Ga<6>,4|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,5,6])(C[6]C[6]H){2|O<2>,3|C<3>,4|N<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	122.0230	0.000	1	122.0230	0.000	1	121.3633	0.800	3	121.3633	0.800	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	C[6,6,6a]-3:O[6]-2:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a])	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6a]O[6])(H){1|Ga<6>,4|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(O[6]Ga[5,6])(C[6]C[6]H){1|O<3>,2|N<3>,3|C<3>,3|O<2>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6,6a]){1|O<2>,2|H<1>,4|C<3>}	121.0335	0.974	2	121.0335	0.948	2	121.3633	0.800	3	121.3633	0.800	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:O[6]-2:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NCC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(O[6]C[6,6a])(C[6]C[6]H){2|N<3>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NCC){1|C<3>,1|O<2>}	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[4x6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]C)(H)	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6](C[4x6]C[3x6]C[4x6])(N[6]C[6,6a])(C[6]C[6]H){2|C<4>,5|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	122.9050	0.000	1	122.9050	0.000	1	122.9050	0.000	1	123.2045	0.179	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]C)(H)	C[6,6](N[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]C)(H){1|H<1>,1|S<4>,2|C<3>}	C[6,6](N[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	123.5040	0.000	1	123.5040	0.000	1	123.5040	0.000	1	123.2045	0.179	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[6]O[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H){1|N<3>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]O[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,5|C<3>}	122.2780	0.000	1	122.2780	0.000	1	122.2810	0.000	2	122.2810	0.000	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:2:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-2:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H){1|N<3>,1|S<2>,3|C<3>}	C[6,6](C[6,6]C[6]S[6])(N[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,5|C<3>}	122.2840	0.000	1	122.2840	0.000	1	122.2810	0.000	2	122.2810	0.000	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6,6]H)(C[6]N[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6])(H){1|Cd<6>,1|C<2>,1|C<3>}	120.1810	0.485	2	120.1810	0.235	2	120.3057	0.164	3	120.3057	0.164	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6,6]H)(C[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|I<2>,2|C<2>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	120.5550	0.000	1	120.5550	0.000	1	120.3057	0.164	3	120.3057	0.164	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:2:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-2:C-4:	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6,6]H)(N[6]C[6])(CH3)	C[6](C[6,6]C[6,6]N[6])(C[6]N[6]C)(H){1|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]H)(N[6]C[6])(CH3){1|C<3>,1|N<2>,1|O<1>}	119.3780	0.000	1	119.3780	0.000	1	119.3780	0.000	1	119.3780	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:Cl-1:	N[6,6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(Cl)	C[6,6](N[6,6]C[6]2)(C[6]C[6]Cl)(N[6]N[6])	C[6](C[6]C[6,6]Cl)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,2|C<3>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]Cl)(N[6]N[6]){1|C<3>,1|C<4>,1|N<2>,3|H<1>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	123.4470	0.000	1	123.4470	0.000	1	123.4470	0.000	1	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<2>,1|C<3>}	119.6530	0.000	1	119.6530	0.000	1	119.9170	0.034	4	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<2>,1|C<3>}	119.9610	0.000	1	120.0050	0.005	3	119.9170	0.034	4	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]){1|Cu<5>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>}	120.0270	0.079	2	120.0050	0.005	3	119.9170	0.034	4	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(N[6]O[6])	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(N[6]O[6]){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	120.3800	0.000	1	120.3800	0.000	1	120.3800	0.000	1	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]B[6]){1|Ir<6>,1|C<3>,1|H<1>,2|F<1>,2|O<2>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|O<2>}	118.6730	0.000	1	118.6730	0.000	1	119.6420	1.878	2	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	120.6110	0.000	1	120.6110	0.000	1	119.6420	1.878	2	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	120.3810	0.000	1	120.3810	0.000	1	120.3810	0.000	1	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[3x6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H)	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6,6]H)2(H)	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6,6]H)2(H){1|N<3>,2|N<2>}	119.8355	0.275	2	119.3756	0.151	8	119.3756	0.151	8	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[3x6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H)	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6,6]H)2(H)	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|F<1>,1|H<1>,1|N<2>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]H)2(H){1|N<3>,2|N<2>}	119.1240	0.282	4	119.3756	0.151	8	119.3756	0.151	8	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[3x6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H)	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6,6]H)2(H)	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[3x6]B[6,6]C[6,6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,2|N<3>,3|C<3>}	C[6](C[6]C[6,6]H)2(H){1|N<3>,2|N<2>}	119.4190	0.249	2	119.3756	0.151	8	119.3756	0.151	8	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	120.4397	0.164	3	120.4943	0.190	11	120.6843	0.606	12	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	119.8090	0.000	2	120.4943	0.190	11	120.6843	0.606	12	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	120.8093	0.468	3	120.4943	0.190	11	120.6843	0.606	12	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	120.7190	0.000	1	120.4943	0.190	11	120.6843	0.606	12	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.8260	0.000	1	120.4943	0.190	11	120.6843	0.606	12	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){1|B<4>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.5270	0.000	1	120.4943	0.190	11	120.6843	0.606	12	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(H){2|C<3>,2|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	122.7740	0.000	1	122.7740	0.000	1	120.6843	0.606	12	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.0236	0.330	5	120.0236	0.109	5	120.0288	0.087	6	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.0550	0.000	1	120.0550	0.000	1	120.0288	0.087	6	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]S[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6])	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]S[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6,6](N[6,6]C[5a,6]C[6])(C[6]C[6]H)(S[6]C[6]){2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	121.5400	0.000	1	121.5400	0.000	1	121.5400	0.000	1	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O){1|Br<1>,1|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H){1|C<3>,1|O<1>,1|O<2>}	116.8460	0.000	1	116.8460	0.000	1	117.4293	0.257	3	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	117.7210	0.066	2	117.7210	0.004	2	117.4293	0.257	3	120.0097	1.422	39	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]H)(H){1|Cr<9>,1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6]){1|Cr<9>,1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	120.0800	0.000	1	120.6610	1.256	3	120.6610	1.256	3	120.6610	1.256	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]H)(H){1|Cr<9>,1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6]){1|Cr<9>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	121.9530	0.000	1	120.6610	1.256	3	120.6610	1.256	3	120.6610	1.256	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6,6]H)(H){1|Cr<9>,1|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O[6]C[6]){1|Cr<9>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	119.9500	0.000	1	120.6610	1.256	3	120.6610	1.256	3	120.6610	1.256	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Zn<6>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|N<3>,2|C<3>}	120.9470	0.000	1	120.9470	0.000	1	120.9470	0.000	1	118.4117	1.790	18	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6])(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(N[6]C[6,6a]C)(C[6]C[6]H){1|C<2>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	121.2300	0.000	1	121.2300	0.000	1	121.2300	0.000	1	118.4117	1.790	18	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6])(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|C<2>,1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.7230	0.000	1	120.7230	0.000	1	120.7230	0.000	1	118.4117	1.790	18	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|C<2>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|F<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|N<3>}	117.9715	0.279	2	117.9715	0.078	2	117.8714	0.284	13	118.4117	1.790	18	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|C<2>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|N<3>}	117.8110	0.000	1	117.8110	0.000	1	117.8714	0.284	13	118.4117	1.790	18	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|N<3>}	117.5793	0.401	4	117.6992	0.131	9	117.8714	0.284	13	118.4117	1.790	18	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|N<3>}	117.7952	0.340	5	117.6992	0.131	9	117.8714	0.284	13	118.4117	1.790	18	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]Cl)(H){1|B<4>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6]C[6,6]H)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|N<3>}	119.2810	0.000	1	119.2810	0.000	1	117.8714	0.284	13	118.4117	1.790	18	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]H)(H){1|B<4>,1|C<2>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(H){1|C<3>,1|N<3>,1|O<2>}	119.3800	0.000	1	118.0915	3.320	2	118.0915	3.320	2	118.4117	1.790	18	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6])(H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]H)(H){1|B<4>,1|C<2>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	C[6](C[6]C[6,6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	116.8030	0.000	1	118.0915	3.320	2	118.0915	3.320	2	118.4117	1.790	18	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:2:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-2:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6])(OC)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H){1|B<4>,1|C<2>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,1|S<2>,2|F<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(OC){1|C<3>,1|H<1>,1|N<3>}	119.2780	0.000	1	119.2780	0.000	1	119.2278	0.017	4	119.2278	0.017	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:2:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-2:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6])(OC)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H){1|B<4>,1|C<2>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>}	C[6](C[6]C[6,6]H)(N[6]C[6])(OC){1|C<3>,1|H<1>,1|N<3>}	119.1595	0.182	2	119.1595	0.033	2	119.2278	0.017	4	119.2278	0.017	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:2:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:O-2:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6])(OC)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]O)(H){1|B<4>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,2|F<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(N[6]C[6])(OC){1|C<3>,1|H<1>,1|N<3>}	119.3140	0.000	1	119.3140	0.000	1	119.2278	0.017	4	119.2278	0.017	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH){1|H<1>,2|C<3>}	122.6875	0.173	2	122.6875	0.030	2	122.6875	0.030	2	121.1554	2.008	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6])(NC[6a]H)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H){1|B<4>,1|C<2>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|F<1>,2|N<3>}	C[6](C[6]C[6,6]H)(N[6]C[6])(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	120.1970	0.000	1	120.1970	0.000	1	120.1340	0.088	3	121.1554	2.008	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H){1|B<4>,1|C<2>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,2|F<1>,2|N<3>}	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC){1|C<3>,1|H<1>,1|N<3>}	119.8110	0.000	1	119.8110	0.000	1	120.1340	0.088	3	121.1554	2.008	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:N-3:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]N)(H){1|B<4>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6]C[6,6]H)(N[6]C[6])(NCC){1|C<3>,1|H<1>,1|N<3>}	120.3940	0.000	1	120.3940	0.000	1	120.1340	0.088	3	121.1554	2.008	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){3|C<3>}	120.9080	0.000	1	121.6233	0.437	6	121.6246	0.364	7	122.0603	1.434	25	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,2|C<3>}	121.4170	0.000	1	121.6233	0.437	6	121.6246	0.364	7	122.0603	1.434	25	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,2|C<3>}	121.8538	0.688	4	121.6233	0.437	6	121.6246	0.364	7	122.0603	1.434	25	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,2|C<3>}	121.6320	0.000	1	121.6320	0.000	1	121.6246	0.364	7	122.0603	1.434	25	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|C<4>,1|O<1>,2|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CH3){1|H<1>,1|O<2>,2|C<3>}	119.2290	0.000	1	119.2290	0.000	1	119.2290	0.000	1	122.0603	1.434	25	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(O[6]B[3x6])(CH3)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(O[6]B[3x6])(CH3){1|C<3>,1|N<3>,2|C<4>}	121.1480	0.000	1	121.1480	0.000	1	122.4062	1.303	17	122.0603	1.434	25	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3){1|N<3>,3|C<3>}	121.4240	0.000	1	121.4240	0.000	1	122.4062	1.303	17	122.0603	1.434	25	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|F<1>}	C[6](C[6]C[6,6]H)(O[6]B[6])(CH3){1|C<3>,1|N<3>,2|F<1>}	122.2934	0.521	14	122.2934	0.271	14	122.4062	1.303	17	122.0603	1.434	25	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](N[6,6]Nb[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(O[6]Nb[6])(CF3)	C[6](C[6,6]N[6,6]C[6])(C[6]O[6]C)(H){1|Nb<6>,1|H<1>,2|C<3>}	C[6,6](N[6,6]Nb[6]C[6])(C[6]C[6]H)2{1|C<3>,1|C<4>,2|H<1>,5|O<2>}	C[6](C[6]C[6,6]H)(O[6]Nb[6])(CF3){1|C<3>,1|N<3>,4|O<2>}	126.2260	0.000	1	126.2260	0.000	1	122.4062	1.303	17	122.0603	1.434	25	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:Br-1:	N[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]H)(Br)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br)	C[6](C[6]C[6,6]Br)(N[6]C[6]C)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]N[6]H)(Br){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]Br){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]Br)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	119.0550	0.000	1	119.0550	0.000	1	119.0550	0.000	1	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.9510	0.000	1	119.9510	0.000	1	120.0340	0.014	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[5a,6]C[5a,6]N[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	120.1170	0.000	1	120.1170	0.000	1	120.0340	0.014	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6,6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6,6a]C[6])(C[6]N[6]H)(H)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2	C[6](N[6]C[6,6a]Ru)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6,6a]C[6])(C[6]N[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6,6]H)(H){3|C<3>}	120.3100	0.148	2	120.3100	0.022	2	120.3100	0.022	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|C<3>}	119.5100	0.000	1	119.5100	0.000	1	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	119.9160	0.000	1	119.9325	0.001	2	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	119.9490	0.000	1	119.9325	0.001	2	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Co<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	119.3077	0.230	3	119.2354	1.511	23	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Hg<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Hg<6>,2|C<3>}	118.4913	1.424	4	119.2354	1.511	23	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	120.1050	1.608	4	119.2354	1.511	23	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<7>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Mn<7>,2|C<3>}	118.7950	0.000	1	119.2354	1.511	23	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Pt<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	118.7230	0.942	2	119.2354	1.511	23	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Re<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	119.6600	2.113	2	119.2354	1.511	23	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ru<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	118.6610	0.000	1	119.2354	1.511	23	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	119.3142	1.204	6	119.2354	1.511	23	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2{1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	118.9430	0.000	1	118.9430	0.000	1	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)2{1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	119.3455	0.142	2	119.3455	0.020	2	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.6308	0.278	5	119.6308	0.077	5	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|C<3>}	120.9700	0.000	1	120.9700	0.000	1	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ir<8>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ir<8>,2|C<3>}	118.8190	0.000	1	118.5267	0.130	4	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Os<9>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Os<9>,2|C<3>}	118.0310	0.000	1	118.5267	0.130	4	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Rh<8>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Rh<8>,2|C<3>}	118.7640	0.000	1	118.5267	0.130	4	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ru<9>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	118.4930	0.000	1	118.5267	0.130	4	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Ti<9>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ti<9>,1|O<2>,2|C<3>}	119.6625	0.177	2	119.8276	0.157	5	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Y<14>,1|O<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|Y<14>,1|O<3>,2|C<3>}	120.0010	0.000	1	119.8276	0.157	5	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Yb<14>,1|O<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|Yb<14>,1|O<3>,2|C<3>}	120.4060	0.000	1	119.8276	0.157	5	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Pt<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	119.4060	0.000	1	119.8276	0.157	5	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Y<14>,1|O<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	120.5540	0.000	1	120.4582	1.159	5	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Yb<14>,1|O<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	122.2090	0.000	1	120.4582	1.159	5	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Ti<9>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ti<9>,2|C<3>}	119.5830	0.137	2	120.4582	1.159	5	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Pt<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	120.3620	0.000	1	120.4582	1.159	5	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Ni<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ni<4>,2|C<3>}	119.8880	0.000	1	119.9610	0.011	2	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{1|Zn<6>,1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	120.0340	0.000	1	119.9610	0.011	2	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<3>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]N[6]H){1|B<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|C<3>}	120.4020	0.000	1	120.4020	0.000	1	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2{1|Ir<8>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ir<8>,2|C<3>}	119.5810	0.000	1	120.5872	3.254	4	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2{1|Pd<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	120.9227	2.051	3	120.5872	3.254	4	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2{1|Rh<6>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Rh<6>,2|C<3>}	118.7600	0.000	1	118.3200	0.387	2	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2{1|Ru<8>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<8>,2|C<3>}	117.8800	0.000	1	118.3200	0.387	2	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H){2|Cu<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H){1|Cu<3>,2|C<3>}	121.3330	0.000	1	121.0840	0.075	3	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H){1|Co<6>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H){1|Co<6>,2|C<3>}	120.9595	0.240	2	121.0840	0.075	3	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,4|C<3>}	119.2730	0.000	1	119.2730	0.000	1	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Ru<6>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ru<6>,2|C<3>}	118.8540	0.296	4	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<5>,1|Pt<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	119.5690	0.000	1	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Rh<7>,1|B<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|B<5>,2|C<3>}	119.2090	0.000	1	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Rh<7>,1|B<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Rh<7>,2|C<3>}	118.8930	0.000	1	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Co<6>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	118.4265	0.320	2	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<3>,2|C<3>}	119.5113	0.154	3	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	119.8570	0.503	2	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	119.3745	0.129	4	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Fe<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Fe<5>,2|C<3>}	119.8810	0.256	2	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Fe<6>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	119.2020	0.000	1	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Co<4>,1|Co<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	120.3310	0.000	1	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Co<4>,1|Co<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	119.7420	0.000	1	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Ni<5>,1|Ni<6>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<5>,2|C<3>}	120.0850	0.000	1	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Ni<5>,1|Ni<6>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	120.0550	0.000	1	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Co<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	120.2290	0.020	2	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Co<6>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	119.5885	0.057	2	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<3>,2|C<3>}	119.6538	0.181	4	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<4>,2|C<3>}	119.9102	0.633	12	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<5>,2|C<3>}	119.3175	0.120	2	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Rh<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Rh<5>,2|C<3>}	119.3655	0.047	2	119.5796	0.309	49	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<3>,1|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Cu<3>,2|C<3>}	118.9710	0.000	1	119.2750	0.471	28	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<3>,1|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	118.9770	0.000	1	119.2750	0.471	28	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<4>,1|Cu<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	120.5770	0.000	1	119.2750	0.471	28	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Rh<4>,1|Rh<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Rh<5>,2|C<3>}	119.9675	0.622	2	119.2750	0.471	28	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Pd<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	120.3940	0.000	1	119.2750	0.471	28	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Re<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Re<5>,2|C<3>}	118.8680	0.000	1	119.2750	0.471	28	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Rh<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Rh<5>,2|C<3>}	118.9183	0.923	3	119.2750	0.471	28	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<5>,2|C<3>}	119.5665	1.292	2	119.2750	0.471	28	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<5>,2|C<3>}	118.8180	0.000	1	119.2750	0.471	28	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<5>,2|C<3>}	119.1515	0.516	15	119.2750	0.471	28	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<4>,1|Cu<5>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H){1|Cu<4>,2|C<3>}	120.0780	0.000	1	119.9173	0.022	3	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H){1|Cu<3>,2|C<3>}	119.8370	0.075	2	119.9173	0.022	3	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Ru<6>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H){2|C<3>}	120.3295	0.125	4	120.0390	0.142	7	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<5>,1|Pt<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H){1|Pt<4>,2|C<3>}	119.5790	0.000	1	120.0390	0.142	7	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H){1|Cu<4>,2|C<3>}	119.6880	0.103	2	120.0390	0.142	7	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<3>,1|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Cu<3>,1|N<3>,3|C<3>}	119.6100	0.000	1	119.5703	0.100	6	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Cu<3>,1|Cu<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Cu<4>,1|N<3>,3|C<3>}	119.3670	0.000	1	119.5703	0.100	6	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Pd<3>,1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Pd<3>,1|N<3>,3|C<3>}	119.8575	0.398	2	119.5703	0.100	6	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Pd<3>,1|Pd<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	119.3650	0.226	2	119.5703	0.100	6	119.5643	0.727	155	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	123.1195	0.433	2	123.1195	0.188	2	123.1195	0.188	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]H)(H)	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[5a,6]H)(H){1|O<1>,4|C<3>}	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6,6]H)(H){1|C<4>,1|N<2>,3|C<3>}	120.1780	0.000	1	120.1780	0.000	1	120.1780	0.000	1	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	120.6595	0.302	2	120.6595	0.091	2	120.6595	0.091	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.6885	0.265	2	119.6885	0.070	2	119.5186	0.497	22	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.5016	0.736	20	119.5016	0.542	20	119.5186	0.497	22	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(N[6]N[6]Yb)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|Yb<12>,1|C<3>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6,6]N[6])(N[6]N[6]Yb)(C[6]C[6]H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|N<3>}	118.5000	0.083	2	118.9505	0.324	4	119.1993	0.299	8	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(N[6]N[6]Yb)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|Yb<13>,1|C<3>,1|H<1>,2|N<3>}	C[6,6](C[6,6]C[6,6]N[6])(N[6]N[6]Yb)(C[6]C[6]H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|N<3>}	119.4010	0.392	2	118.9505	0.324	4	119.1993	0.299	8	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	119.0430	0.000	1	119.0430	0.000	1	119.1993	0.299	8	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|Ru<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<6>,2|C<3>,2|N<3>}	119.5830	0.452	3	119.5830	0.204	3	119.1993	0.299	8	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Cr<9>,1|Mn<6>,1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)2(H)	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6]H)2(H){1|N<3>,2|C<3>}	119.7705	0.331	10	119.7705	0.110	10	119.7279	0.091	14	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)2(H)	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[3x6]C[6,6]P[6,6])(C[6]C[6]H){2|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)2(H){1|N<3>,2|C<3>}	119.5180	0.221	2	119.5180	0.049	2	119.7279	0.091	14	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[3x6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)2(H)	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6a,6a]C[6,6a])(N[3x6]B[6,6]C[6,6])(C[6]C[6]H){1|H<1>,3|O<2>,5|C<3>}	C[6](C[6]C[6,6]H)2(H){1|N<3>,2|C<3>}	119.7250	0.206	2	119.7250	0.043	2	119.7279	0.091	14	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6,6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[3x6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6,6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6,6a]H)(H){1|B<4>,1|N<3>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[3x6])(C[6]C[6]H){2|H<1>,3|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6,6a])(C[6]C[6,6]H)(H){1|B<4>,1|N<3>,3|C<3>}	121.3110	0.000	1	121.3110	0.000	1	120.7770	0.570	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6,6a]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6,6a]H)(H){1|B<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.2430	0.000	1	120.2430	0.000	1	120.7770	0.570	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[5a,6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[5a,6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	120.4120	0.000	1	120.4120	0.000	1	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[5a,6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.4520	0.000	1	120.4520	0.000	1	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[5a,6a]C[6,6a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[5a,6a]C[6,6a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.4020	0.000	1	121.4020	0.000	1	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	119.7333	0.110	3	120.1308	0.392	5	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.7270	0.600	2	120.1308	0.392	5	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.3100	0.000	1	120.8673	0.245	3	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.1460	0.154	2	120.8673	0.245	3	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6,6]C[6])(C[6]C[6]H){1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.0335	0.576	2	121.0335	0.332	2	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	120.3950	0.000	1	120.3950	0.000	1	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|F<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	120.2850	0.000	1	120.7939	0.166	8	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|F<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.5430	0.000	1	120.7939	0.166	8	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|I<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.5630	0.000	1	120.7939	0.166	8	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.1180	0.260	3	120.7939	0.166	8	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.3950	0.000	1	120.7939	0.166	8	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){2|Br<1>,1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.2110	0.000	1	120.7939	0.166	8	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]C[6])(C[6]C[6]H){3|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.9350	0.000	1	121.9350	0.000	1	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.8130	0.000	1	120.8130	0.000	1	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[5,6]C[6])(C[6]C[6]H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.4450	0.000	1	120.4450	0.000	1	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.5650	0.000	1	120.5650	0.000	1	120.6959	0.316	26	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]P[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,1|P<4>,3|C<3>}	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]C[6]P[6])(C[6]C[6]H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	122.2940	0.000	1	122.2940	0.000	1	121.5935	0.981	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]N[6]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|N<3>,3|C<3>}	C[6,6](C[6]C[6,6a]C[6a])(C[6,6]N[6]2)(C[6]C[6]H){1|Rh<4>,1|Rh<5>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H){1|Rh<5>,4|C<3>}	120.8930	0.000	1	120.8930	0.000	1	121.5935	0.981	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6]C[6,6]C[6])(N[6,6]B[6]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.8748	0.224	4	120.8748	0.050	4	120.8748	0.050	4	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6,6](N[5a,6]C[5a,6]C[5a])(N[6,6]C[6]2)(C[6]C[6]H){1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.7850	0.000	1	118.7850	0.000	1	119.7353	3.908	3	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6](N[5a,6]C[5a,6]N[5a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.4130	0.000	1	118.4130	0.000	1	119.7353	3.908	3	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[5a,6]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6,6](N[5a,6]C[5a,6a]C[5a,6])(N[6,6]C[6]2)(C[6]C[6]H){2|H<1>,6|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	122.0080	0.000	1	122.0080	0.000	1	119.7353	3.908	3	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6,6a]H)(H){1|B<4>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|F<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.8065	0.248	2	120.8065	0.062	2	120.8065	0.062	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[5,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.9390	0.000	1	120.9390	0.000	1	120.6051	0.157	10	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.9860	0.132	2	120.9860	0.017	2	120.6051	0.157	10	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H){1|B<4>,1|C<2>,1|N<2>,2|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.8240	0.000	1	119.8240	0.000	1	120.6051	0.157	10	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.5527	0.270	6	120.5527	0.073	6	120.6051	0.157	10	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[3x6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.6750	0.000	1	120.6750	0.000	1	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.3153	0.188	3	121.3153	0.035	3	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.8760	0.266	3	120.8760	0.071	3	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.0675	0.538	4	120.0675	0.289	4	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.1735	0.149	2	120.1735	0.022	2	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.8890	0.000	1	120.8890	0.000	1	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[5a,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.4200	0.185	2	120.4200	0.034	2	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.8550	0.146	4	120.8550	0.021	4	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.7830	0.000	1	120.7830	0.000	1	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.7725	0.108	2	120.0154	0.065	5	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.0460	0.000	1	120.0154	0.065	5	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]C){1|C<3>,1|N<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.2430	0.158	2	120.0154	0.065	5	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]O){1|C<4>,1|F<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2670	0.000	1	119.2670	0.000	1	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.5360	0.000	1	120.6621	0.220	12	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.5330	0.000	1	120.6621	0.220	12	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.2930	0.000	1	120.6621	0.220	12	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.8470	0.000	1	120.6621	0.220	12	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.0415	0.227	2	120.6621	0.220	12	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.6088	0.441	6	120.6621	0.220	12	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.8130	0.597	3	121.1238	0.311	6	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.5040	0.000	1	121.1238	0.311	6	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.0450	0.000	1	121.1238	0.311	6	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.7550	0.000	1	121.1238	0.311	6	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.9520	0.000	1	120.9520	0.000	1	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.5710	0.000	1	120.8415	0.392	4	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.9740	0.000	1	120.8415	0.392	4	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.0530	0.000	1	120.8415	0.392	4	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Fe<5>,1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.7680	0.000	1	120.8415	0.392	4	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Nb[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Nb<6>,2|C<3>,2|H<1>}	C[6,6](N[6,6]Nb[6]C[6])(C[6]C[6]H)2{1|C<3>,1|C<4>,2|H<1>,5|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.7500	0.000	1	120.7500	0.000	1	120.6451	0.316	51	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.8810	0.000	1	119.9705	0.016	2	119.9705	0.016	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6,6](N[6,6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.0600	0.000	1	119.9705	0.016	2	119.9705	0.016	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|F<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.8420	0.000	1	120.3360	0.488	2	120.1988	0.340	4	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.8300	0.000	1	120.3360	0.488	2	120.1988	0.340	4	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	C[6,6](N[6,6]In[6]C[6])(N[6]C[6,6]H)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.0615	0.675	2	120.0615	0.456	2	120.1988	0.340	4	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[5,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O)	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[6,6](C[5,6]N[5,6]S[5])(C[6,6]C[5,6]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	114.6785	0.653	2	114.6785	0.426	2	114.6785	0.426	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Co<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	118.0100	0.207	3	118.0061	0.754	23	118.0061	0.754	23	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Hg<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	117.8960	0.521	4	118.0061	0.754	23	118.0061	0.754	23	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	117.7485	0.668	4	118.0061	0.754	23	118.0061	0.754	23	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Mn<7>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	117.8040	0.000	1	118.0061	0.754	23	118.0061	0.754	23	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Pt<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	118.6155	1.800	2	118.0061	0.754	23	118.0061	0.754	23	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Re<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	117.4010	0.529	2	118.0061	0.754	23	118.0061	0.754	23	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ru<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	117.9410	0.000	1	118.0061	0.754	23	118.0061	0.754	23	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Zn<6>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|N<3>,3|C<3>}	118.2925	1.305	6	118.0061	0.754	23	118.0061	0.754	23	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|H<1>,1|N<2>,3|C<3>}	117.8240	0.345	5	117.8240	0.119	5	117.8240	0.119	5	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|C<3>,2|O<2>}	116.2410	0.000	1	116.2410	0.000	1	117.9582	3.032	4	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	117.6030	0.000	2	117.6030	0.000	2	117.9582	3.032	4	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3860	0.000	1	120.3860	0.000	1	117.9582	3.032	4	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ir<8>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O){1|O<2>,2|C<3>}	118.0970	0.000	1	118.3125	0.401	4	118.3125	0.401	4	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Os<9>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O){1|O<2>,2|C<3>}	117.9380	0.000	1	118.3125	0.401	4	118.3125	0.401	4	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Rh<8>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O){1|O<2>,2|C<3>}	117.9590	0.000	1	118.3125	0.401	4	118.3125	0.401	4	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){1|Ru<9>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O){1|O<2>,2|C<3>}	119.2560	0.000	1	118.3125	0.401	4	118.3125	0.401	4	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(O)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pt)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Pt)(C[6]C[6]O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.5800	0.000	1	119.5800	0.000	1	119.5800	0.000	1	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(O)	C[6,6](C[6,6a]C[6,6a]2)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.1690	0.000	1	121.1690	0.000	1	121.1690	0.000	1	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	119.0920	0.000	1	119.0920	0.000	1	118.4100	0.930	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<3>}	C[6,6](C[6]N[5a,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	117.7280	0.000	1	117.7280	0.000	1	118.4100	0.930	2	119.7235	1.345	358	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH){1|H<1>,2|C<3>}	120.5620	0.000	1	120.5620	0.000	1	121.8883	1.332	3	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|O<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]O)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){2|C<3>,2|C<4>}	122.5515	0.161	2	122.5515	0.026	2	121.8883	1.332	3	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(H){1|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]C[6]){2|H<1>,5|C<3>}	119.8200	0.000	1	119.8200	0.000	1	119.8200	0.000	1	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6])(H){1|B<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	122.7380	0.000	1	122.7380	0.000	1	123.4670	0.265	4	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6])(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]O[6])(H){1|B<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6,6a]B[6])(C[6]C[6]H){1|H<1>,1|O<2>,2|F<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	123.7100	0.207	3	123.7100	0.043	3	123.4670	0.265	4	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	122.3030	0.000	1	122.3030	0.000	1	121.6983	0.173	20	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	121.5480	0.081	2	121.5027	0.008	4	121.6983	0.173	20	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|H<1>,5|C<3>}	121.4575	0.088	2	121.5027	0.008	4	121.6983	0.173	20	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	121.6720	0.516	4	121.5712	0.164	9	121.6983	0.173	20	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|H<1>,5|C<3>}	121.4906	0.331	5	121.5712	0.164	9	121.6983	0.173	20	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|C<4>,1|N<2>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]C){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	121.8615	0.209	2	121.8615	0.044	2	121.6983	0.173	20	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,1|N<2>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)(C[6]N[6]H){1|O<2>,2|F<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	121.5200	0.028	2	121.5200	0.001	2	121.6983	0.173	20	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|N<2>,4|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6a]N[6])(C[6]C[6]H){1|O<2>,2|F<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	122.3740	0.464	2	122.3740	0.215	2	121.6983	0.173	20	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	C[5a,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]O)(O)	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]O)(OC)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]O)(O){1|N<3>,4|C<3>}	C[6,6](C[5a,6]N[5a,6]C[5a])(C[6,6]C[6]2)(C[6]C[6]O){1|N<2>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6]O)(OC){1|O<1>,4|C<3>}	117.5240	0.000	1	117.5240	0.000	1	117.5240	0.000	1	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6,6](C[6]C[5a,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|O<1>,2|C<3>}	116.6750	0.000	1	116.6750	0.000	1	116.6750	0.000	1	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	N[5,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]C)(O)	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	C[6,6](N[5,6]C[5,6]C[5])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|N<3>,1|O<2>}	114.1370	0.000	1	114.1370	0.000	1	114.1370	0.000	1	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	N[6,6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(O)	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	C[6,6](N[6,6]C[6,6]C[6])(C[6,6]C[6]O[6])(C[6]C[6]O){1|C<2>,1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|N<3>,1|O<2>}	114.2370	0.000	1	114.2370	0.000	1	114.2370	0.000	1	121.1216	5.411	32	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]C)(H){1|Cl<1>,1|H<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[6,6]H)(N[6]C[6]H)(CCH){1|H<1>,2|C<3>}	122.1670	0.000	1	122.1670	0.000	1	122.1670	0.000	1	121.4745	0.867	13	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	120.8090	0.000	1	120.8090	0.000	1	120.8090	0.000	1	121.4745	0.867	13	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	121.8797	0.332	7	121.8797	0.110	7	121.8797	0.110	7	121.4745	0.867	13	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	N[6,6,6a]-3:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6,6]N[6,6,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6](C[6,6]N[6,6,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	C[6,6](N[6,6,6a]C[6,6a,6a]C[6,6a])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,7|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6,6]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	121.8380	0.000	1	121.8380	0.000	1	121.8380	0.000	1	121.4745	0.867	13	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]N[6])(H)	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]Ru)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6a]N[6])(H){1|Ru<6>,1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[6]C[6,6a]H)(C[6,6]C[6]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]C[6]Ru){1|N<3>,2|H<1>,3|C<3>}	119.1610	0.000	1	119.1610	0.000	1	119.1610	0.000	1	121.4745	0.867	13	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(O)	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	C[6,6](C[6,6]C[5a,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	120.0780	0.000	1	120.0780	0.000	1	120.0780	0.000	1	121.4745	0.867	13	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(N[6]C[6]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	121.9580	0.000	1	121.9580	0.000	1	121.9580	0.000	1	121.4745	0.867	13	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH){1|O<2>,2|C<3>}	123.2840	0.000	1	123.2840	0.000	1	123.3137	0.274	3	121.9007	0.692	27	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(CH3){1|Ru<5>,2|C<3>}	123.3285	0.739	2	123.3285	0.546	2	123.3137	0.274	3	121.9007	0.692	27	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H)	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]N[6,6]C[6])(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	121.2470	0.925	2	121.2470	0.855	2	121.2470	0.855	2	121.9007	0.692	27	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]2)(N[6,6]C[6]2)(C[6]C[6]H){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	121.3332	0.348	5	121.3332	0.121	5	121.2688	0.122	6	121.9007	0.692	27	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]H){1|C<4>,1|F<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	120.9470	0.000	1	120.9470	0.000	1	121.2688	0.122	6	121.9007	0.692	27	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]C)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]C)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CCHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.7915	0.214	4	121.7915	0.046	4	122.1239	0.241	14	121.9007	0.692	27	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]C)(H)	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6,6a]C)(H){1|B<4>,1|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|O<2>,2|C<4>,2|F<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	122.2568	0.514	10	122.2568	0.264	10	122.1239	0.241	14	121.9007	0.692	27	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]C)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(N[6]B[6]H)(CH3)	C[6](C[6,6]N[6,6]C[6])(C[6]N[6]C)(H){1|B<4>,2|C<3>,2|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(N[6]B[6]H)(CH3){1|N<3>,3|C<3>}	121.1870	0.000	1	121.1870	0.000	1	121.1870	0.000	1	121.9007	0.692	27	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	120.3500	0.000	1	120.3500	0.000	1	120.3500	0.000	1	121.9007	0.692	27	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|O<1>,2|C<3>}	124.2960	0.000	1	124.2960	0.000	1	124.2960	0.000	1	121.3271	1.718	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]O[6])(C[6]C[6,6]O)(C[6]C[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H){2|C<3>}	119.6160	0.000	1	119.6160	0.000	1	120.7288	0.877	5	121.3271	1.718	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HN)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6,6]O)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HN)(H){1|H<1>,2|C<3>}	121.3900	0.000	1	121.3900	0.000	1	120.7288	0.877	5	121.3271	1.718	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)(C[6]C[6]O){3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]CH)(H){1|C<4>,2|C<3>}	121.4210	0.072	2	121.4210	0.005	2	120.7288	0.877	5	121.3271	1.718	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H){2|C<3>}	119.7960	0.000	1	119.7960	0.000	1	120.7288	0.877	5	121.3271	1.718	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)2{1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O){1|C<4>,1|H<1>,2|C<3>}	121.0370	0.000	1	121.0370	0.000	1	121.0370	0.000	1	121.3271	1.718	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H){1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]O[6]HH)(O){2|C<3>}	120.5560	0.000	1	120.5560	0.000	1	120.5560	0.000	1	121.3271	1.718	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]OV)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,1|V<7>,2|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,1|V<7>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]OV)(H){1|O<2>,2|C<3>}	121.6680	0.000	1	121.6680	0.000	1	121.8690	0.081	2	121.3271	1.718	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]OW)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|W<10>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|W<10>,1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]OW)(H){1|O<2>,2|C<3>}	122.0700	0.000	1	122.0700	0.000	1	121.8690	0.081	2	121.3271	1.718	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]H)(H){1|O<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(C[6]C[6]O){2|C<4>,5|H<1>}	C[6](C[3,6]C[3]2O[6])(C[6]C[6,6]H)(H){3|C<3>,3|H<1>}	120.7440	0.000	1	120.7440	0.000	1	120.7440	0.000	1	120.2744	4.410	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]O)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6,6]H)(O){4|C<3>}	122.2870	0.007	2	122.2870	0.000	2	122.2870	0.000	2	120.2744	4.410	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){2|C<3>,5|C<4>}	116.9830	0.000	1	116.9830	0.000	1	116.9830	0.000	1	120.2744	4.410	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O){2|C<3>,5|C<4>}	123.0280	0.000	1	123.0280	0.000	1	123.0280	0.000	1	120.2744	4.410	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]NiH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]H)2{2|Ni<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6,6]H)(H){1|H<1>,2|C<3>}	122.1510	0.000	1	122.1510	0.000	1	122.1510	0.000	1	120.2744	4.410	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[5,6]H)(H){1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]N[5]O[6])(C[6]C[6,6]H)(H){1|N<3>,3|C<3>,3|C<4>}	118.8160	0.554	4	118.8160	0.307	4	118.8160	0.307	4	120.2744	4.410	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]H)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6,6]H)(NOO){2|C<4>,4|C<3>}	119.2700	0.000	2	119.2700	0.000	2	119.2700	0.000	2	120.0153	1.667	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]H)(C[6]N[6]O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(COO){2|H<1>,4|C<3>}	121.5060	0.000	1	121.5060	0.000	1	121.5060	0.000	1	120.0153	1.667	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]O[6]O)(H){2|C<3>,3|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	121.5360	0.313	2	121.5360	0.098	2	121.5360	0.098	2	121.5360	0.098	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6])(C[6,6]C[6]2H)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	123.6070	0.861	2	123.6070	0.742	2	123.6070	0.742	2	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.8420	0.000	1	119.7503	1.086	3	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|C<4>}	119.2045	0.620	2	119.7503	1.086	3	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6a]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	120.4990	0.000	1	120.4990	0.000	1	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H){1|Ni<4>,1|C<4>,3|C<3>}	119.8575	0.043	2	119.8575	0.002	2	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	118.5000	0.000	1	119.4214	0.522	5	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	119.6517	0.585	4	119.4214	0.522	5	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|C<4>}	120.2760	0.000	1	120.6038	0.142	8	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|C<4>}	120.9815	0.145	2	120.6038	0.142	8	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Co<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|C<4>}	120.8320	0.000	1	120.6038	0.142	8	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Fe<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|C<4>}	120.6340	0.000	1	120.6038	0.142	8	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|C<4>}	120.7500	0.000	1	120.6038	0.142	8	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|C<4>,1|O<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|C<4>}	120.4670	0.000	1	120.6038	0.142	8	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|C<4>}	119.9080	0.000	1	120.6038	0.142	8	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|C<4>}	120.1930	0.000	1	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	119.7391	0.724	9	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Mg<5>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|C<4>}	121.3450	0.000	1	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<5>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|C<4>}	119.7916	0.352	5	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>}	121.0370	2.018	4	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	120.4780	0.328	3	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	119.6160	0.000	1	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|C<4>}	121.1720	0.000	1	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Al<5>,1|C<3>,1|C<4>,1|O<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|C<4>}	120.1750	0.000	1	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	120.6155	0.435	2	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ir<6>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	120.2110	0.000	1	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Mg<5>,1|C<4>,1|N<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|C<4>}	119.9790	0.839	2	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	118.2890	0.000	1	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<6>,1|C<3>,1|C<4>,1|N<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	120.9470	0.112	2	120.1846	0.958	34	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Li<4>,1|C<3>,1|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|C<4>}	120.2685	0.101	2	120.2685	0.010	2	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H){1|Ni<4>,1|C<4>,3|C<3>}	120.6220	0.000	1	120.8537	0.054	4	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H){1|Pd<4>,1|C<4>,3|C<3>}	120.9310	0.211	3	120.8537	0.054	4	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]CC)(C[6]C[6]H){1|Li<4>,2|Li<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Li<4>,1|Li<5>,1|C<3>,1|C<4>}	120.5300	0.000	1	120.5300	0.000	1	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){1|Ni<3>,1|Ni<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<3>,1|C<3>,1|C<4>}	120.1710	0.000	1	120.1710	0.000	1	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]HH)(C[6]C[6]H){2|Ru<5>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|C<4>,1|N<3>,2|C<3>}	122.2240	0.000	1	122.2240	0.000	1	120.2348	0.789	62	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6,6a]CC)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	123.4320	0.341	2	123.4320	0.116	2	123.4320	0.116	2	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]S)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	121.5415	1.132	2	121.5415	1.282	2	121.5415	1.282	2	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5a,6]C[6]C)(C[6]C[6]H){1|N<3>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	124.0447	0.249	4	124.0447	0.062	4	124.0447	0.062	4	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[5,6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6a]2C[6])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]N[5,6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](N[5,6,6]C[5,6,6]C[5,6])(C[6]C[6a]2C[6])(C[6]C[6]H){1|H<1>,1|N<3>,1|O<1>,2|C<4>,6|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|N<3>,2|C<4>}	119.7860	0.000	1	119.7860	0.000	1	119.7860	0.000	1	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.6407	0.315	4	120.3697	0.325	10	120.2754	0.403	18	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.4560	0.000	1	120.3697	0.325	10	120.2754	0.403	18	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.3330	0.000	1	120.3697	0.325	10	120.2754	0.403	18	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.4955	0.227	2	120.3697	0.325	10	120.2754	0.403	18	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.4790	0.000	1	120.3697	0.325	10	120.2754	0.403	18	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,3|H<1>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|Ru<8>,1|C<3>,1|O<2>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.8750	0.000	1	120.3697	0.325	10	120.2754	0.403	18	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]O[6]CH)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.0540	0.000	1	121.0540	0.000	1	120.2754	0.403	18	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ga<4>,2|C<3>,3|H<1>}	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.2390	0.363	2	119.9900	0.144	4	120.2754	0.403	18	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ga<5>,2|C<3>,3|H<1>}	C[6,6](N[6,6]Ga[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){2|Cl<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.7410	0.231	2	119.9900	0.144	4	120.2754	0.403	18	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|In<6>,2|C<3>,3|H<1>}	C[6,6](N[6,6]In[6]C[6])(C[6]C[6,6]HH)(C[6]C[6]H){3|Cl<1>,1|N<3>,1|O<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.4650	0.264	2	119.4650	0.070	2	120.2754	0.403	18	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[6,6](N[6,6]O[6,6]C[6])(C[6]C[5,6]HH)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.3170	0.000	1	121.3170	0.000	1	120.2754	0.403	18	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	N[6,6]-3:N[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|N<4>}	119.6370	0.000	1	119.6370	0.000	1	119.6370	0.000	1	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	119.1730	0.303	2	119.1730	0.092	2	118.9188	0.114	5	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	118.4530	0.000	1	118.7493	0.074	3	118.9188	0.114	5	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|C<4>,1|H<1>,3|C<3>}	118.8975	0.124	2	118.7493	0.074	3	118.9188	0.114	5	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CC)(C[6]C[6]O){1|Br<1>,1|C<3>,1|C<4>,2|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|O<1>}	116.8950	0.000	1	116.8950	0.000	1	116.8950	0.000	1	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	118.4950	0.000	1	118.4950	0.000	1	118.6160	0.029	2	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	118.7370	0.000	1	118.7370	0.000	1	118.6160	0.029	2	120.4100	1.869	100	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<2>,1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|C<4>}	120.9160	0.000	1	120.9160	0.000	1	120.9160	0.000	1	118.6556	1.744	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:N-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]N)(O)	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(NN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]N)(O){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6,6a]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Br<1>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(NN){1|C<4>,1|H<1>,3|C<3>}	118.5940	0.000	1	118.5940	0.000	1	118.5940	0.000	1	118.6556	1.744	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6,6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	117.5760	0.000	1	117.5760	0.000	1	117.9227	0.125	3	118.6556	1.744	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	118.0960	0.264	2	118.0960	0.070	2	117.9227	0.125	3	118.6556	1.744	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	N[3x6]-3:N[6]-4:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]N)(H)	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H)	C[6](C[6]C[6,6]H)2(NCC)	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,4|C<4>}	C[6,6](N[3x6]C[6,6]2)(N[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|N<3>,1|N<4>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)2(NCC){1|N<3>,2|N<4>}	120.5765	0.421	2	120.5765	0.177	2	120.5765	0.177	2	120.5765	0.177	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[5,6]N[6])(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	120.2295	0.158	2	120.2295	0.025	2	120.2295	0.025	2	120.0319	2.469	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:S[6]-4:C[6]-3:	C[6]-3:C[6a]-3:S[6]-4:	C[6](C[6,6]C[6,6]S[6])(C[6]C[6a]S[6])(H)	C[6,6](C[6,6]C[6,6a]O[6])(S[6]C[6]OO)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(S[6]O[6]OO)	C[6](C[6,6]C[6,6]S[6])(C[6]C[6a]S[6])(H){1|C<4>,1|O<2>,3|C<3>,4|O<1>}	C[6,6](C[6,6]C[6,6a]O[6])(S[6]C[6]OO)(C[6]C[6]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(S[6]O[6]OO){1|S<4>,2|H<1>,3|C<3>}	123.6800	0.000	1	123.6800	0.000	1	123.6800	0.000	1	120.0319	2.469	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	118.0530	0.000	1	118.0530	0.000	1	119.4543	1.079	7	120.0319	2.469	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	118.8950	0.000	1	118.8950	0.000	1	119.4543	1.079	7	120.0319	2.469	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	120.4180	0.000	1	120.4180	0.000	1	119.4543	1.079	7	120.0319	2.469	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HO)(C[6]C[6]O){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	120.2755	0.713	2	120.2755	0.509	2	119.4543	1.079	7	120.0319	2.469	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]CH)(C[6]C[6]O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	119.1315	1.097	2	119.1315	1.203	2	119.4543	1.079	7	120.0319	2.469	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	124.4130	0.000	1	124.4130	0.000	1	124.4130	0.000	1	123.9950	0.294	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	123.3820	0.000	1	123.3820	0.000	1	123.7860	0.326	2	123.9950	0.294	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	124.1900	0.000	1	124.1900	0.000	1	123.7860	0.326	2	123.9950	0.294	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5,6]MoH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|Mo<10>,1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6a]C[5,6])(C[6]C[6]HH)(C[6]C[6]H){1|Mo<10>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]MoH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>}	120.8890	0.000	1	120.8890	0.000	1	120.8890	0.000	1	120.8890	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:2:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[5,6,6]O[6])(C[6]O[6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6,6]H)(O[6]C[5,6])(O)	C[6](C[6,6]C[5,6,6]O[6])(C[6]O[6]O)(H){1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|O<1>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[5,6])(O){1|O<2>,3|C<4>}	122.1900	0.000	1	122.1900	0.000	1	122.1900	0.000	1	122.1900	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]N[6])(C[6]C[6,6a]H)(H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]N[6])(C[6]C[6,6a]H)(H){2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(N[6]C[6]){1|N<3>,3|C<3>,7|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	121.0630	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:2:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(H){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)(O[6]C[6]){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|H<1>}	122.1300	0.000	1	122.1300	0.000	1	122.1300	0.000	1	122.1300	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[4,6,6]-4:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[4,6,6]O[6])(C[6]C[6]O)(H)	C[6,6](C[4,6,6]C[4,6]C[4]C[6])(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[4,6,6]O[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[4,6,6]C[4,6]C[4]C[6])(C[6]C[6]H)(O[6]C[6]){2|H<1>,2|O<1>,6|C<4>}	C[6](C[6]C[4,6]HH)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<4>}	122.8990	0.000	1	122.8990	0.000	1	122.8990	0.000	1	122.8990	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	121.6690	0.000	1	121.7403	0.617	9	121.7403	0.617	9	121.7796	0.484	14	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,5|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	121.9000	0.000	1	121.7403	0.617	9	121.7403	0.617	9	121.7796	0.484	14	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	122.3820	0.861	3	121.7403	0.617	9	121.7403	0.617	9	121.7796	0.484	14	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	121.4173	0.626	3	121.7403	0.617	9	121.7403	0.617	9	121.7796	0.484	14	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|C<3>,4|C<4>}	C[6,6](C[6,6]C[5,6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.6960	0.000	1	121.7403	0.617	9	121.7403	0.617	9	121.7796	0.484	14	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	122.0970	0.048	2	121.8502	0.331	5	121.8502	0.331	5	121.7796	0.484	14	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	121.6857	0.748	3	121.8502	0.331	5	121.8502	0.331	5	121.7796	0.484	14	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:2:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>,2|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(CCH){1|C<3>,1|C<4>,2|H<1>}	122.3932	0.871	4	122.3932	0.759	4	122.3932	0.759	4	122.3932	0.759	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(Br)	C[6,6](C[6,6]C[6]N[6]Dy)(C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6,6]Br)(C[6]C[6]Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(Br){1|Dy<13>,1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6,6](C[6,6]C[6]N[6]Dy)(C[6]C[6]Br)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]Br)(C[6]C[6]Br)(H){1|Dy<13>,1|C<3>,1|C<4>,1|O<2>}	121.7987	0.436	3	121.7987	0.190	3	121.7987	0.190	3	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[3,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|C<4>}	119.4645	0.453	2	119.4645	0.205	2	119.4645	0.205	2	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<4>,3|C<3>}	121.7692	0.521	4	121.7692	0.271	4	121.7692	0.271	4	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){1|C<3>,3|C<4>}	118.9160	0.402	2	118.9160	0.161	2	118.9160	0.161	2	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,5,6]C[5,5,6]N[5]2)(C[6,6]C[6,6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|N<3>}	C[6,6](C[5,5,6]C[5,5,6]N[5]2)(C[6,6]C[6,6]N[6])(C[6]C[6]H){1|Co<7>,3|H<1>,3|N<3>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|C<4>}	119.1813	0.522	4	119.1813	0.272	4	119.1813	0.272	4	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]O)(H)	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[5,6,6]N[5,6]C[5]C[6])(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	122.2870	0.000	1	122.2870	0.000	1	122.2870	0.000	1	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[5,6]O)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,5,6]N[5,6]H)(C[6]C[6]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[5,6]O)(H){1|C<4>,2|C<3>}	119.5280	0.000	1	119.5280	0.000	1	120.9658	2.353	6	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2{1|C<3>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,2|O<2>}	123.6620	0.000	1	123.6620	0.000	1	120.9658	2.353	6	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2Ca)(C[6]C[6]H)2	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|Ca<12>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]2Ca)(C[6]C[6]H)2{1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|Ca<12>,1|C<3>,2|C<4>}	120.2577	0.293	3	120.2577	0.086	3	120.9658	2.353	6	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.8320	0.000	1	121.8320	0.000	1	120.9658	2.353	6	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,6]N[5]O)(C[6,6]C[6,6a]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[6,6](C[5,6]C[5,6]N[5]O)(C[6,6]C[6,6a]N[6])(C[6]C[6]H){1|N<2>,1|N<3>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.5930	0.000	1	120.5930	0.000	1	119.3148	4.326	4	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	121.3800	0.000	1	121.3800	0.000	1	119.3148	4.326	4	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	118.5060	0.000	1	117.6430	1.490	2	119.3148	4.326	4	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6,6](C[5,6]C[5]O[5]O[6])(C[6,6]C[5,6]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,1|S<2>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	116.7800	0.000	1	117.6430	1.490	2	119.3148	4.326	4	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6]N[6])(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	122.3880	0.000	1	122.3880	0.000	1	122.3880	0.000	1	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<3>,1|O<2>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	122.4180	0.000	1	122.4180	0.000	1	122.4180	0.000	1	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6a]O)(H){3|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[5,6]C[5,6]C[5])(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O){1|C<4>,1|O<2>,3|C<3>}	122.7290	0.000	1	122.7290	0.000	1	122.7290	0.000	1	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]H){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	121.8330	0.000	1	121.8330	0.000	1	121.8330	0.000	1	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|N<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	121.7340	0.000	1	121.7340	0.000	1	121.9905	0.132	2	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,4|C<4>}	122.2470	0.000	1	122.2470	0.000	1	121.9905	0.132	2	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(H){1|O<1>,2|O<2>,3|C<3>}	C[6,6](C[6,6]C[6,6a]O[6]O)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O){1|C<4>,1|H<1>,3|C<3>}	122.6570	0.255	2	122.6570	0.065	2	122.6570	0.065	2	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]H)(C[6]C[6]H){1|C<3>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	123.1300	0.000	1	123.1300	0.000	1	120.7225	1.323	13	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]Dy)(C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Dy<13>,1|Br<1>,1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6]Dy)(C[6]C[6]Br)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Dy<13>,1|C<3>,1|C<4>}	120.1930	0.086	3	120.1930	0.007	3	120.7225	1.323	13	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2{2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	122.0020	0.000	1	122.0020	0.000	1	120.7225	1.323	13	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]Os)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Os<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]Os)(C[6]C[6]H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Os<8>,1|C<3>,1|C<4>}	119.1880	0.595	2	119.1880	0.354	2	120.7225	1.323	13	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]Ti)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<12>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6]Ti)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ti<12>,1|C<3>,1|C<4>}	120.7588	0.687	5	120.8843	0.472	6	120.7225	1.323	13	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]Ti)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<8>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6,6](C[6,6]C[6]N[6]Ti)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ti<8>,1|C<3>,1|C<4>}	121.5120	0.000	1	120.8843	0.472	6	120.7225	1.323	13	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	122.5920	0.000	1	122.5920	0.000	1	122.5468	0.328	5	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	121.6040	0.000	1	121.6040	0.000	1	122.5468	0.328	5	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	122.5410	0.000	1	122.7315	0.073	2	122.5468	0.328	5	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	122.9220	0.000	1	122.7315	0.073	2	122.5468	0.328	5	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	123.0750	0.000	1	123.0750	0.000	1	122.5468	0.328	5	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){1|N<3>,1|N<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.4300	0.000	1	120.6635	0.109	2	120.0202	0.675	6	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6,6](C[6,6]C[5,6,6]N[6]C)(N[6,6]Ge[5,6]C[6])(C[6]C[6]H){2|C<3>,2|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.8970	0.000	1	120.6635	0.109	2	120.0202	0.675	6	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<1>,7|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>}	120.1580	0.000	1	119.7607	0.989	3	120.0202	0.675	6	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(N[6,6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<4>,1|O<2>,7|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>}	119.5620	1.319	2	119.7607	0.989	3	120.0202	0.675	6	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Rh)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Rh)(N[6,6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.5120	0.000	1	119.5120	0.000	1	120.0202	0.675	6	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]N[6])(C[6]C[6]H){1|C<4>,3|C<3>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.3340	0.000	1	121.3340	0.000	1	121.3340	0.000	1	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6]N[6,6]HH)(N[6,6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.1230	0.219	2	120.1230	0.048	2	120.1230	0.048	2	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	P[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]P[6])(C[6]C[6]O)(H)	C[6,6](P[6]C[6,6a]C[6a]O)(C[6,6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]P[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[6,6](P[6]C[6,6a]C[6a]O)(C[6,6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|P<4>}	121.7450	0.000	1	121.7450	0.000	1	121.7450	0.000	1	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6])(C[6]C[5,6]H)(O)	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[5,6]H)(O){1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[3x6]C[5,6,6]C[6,6]H)(C[6]C[6]H)(C[6]C[6]O){2|C<3>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	117.9790	0.000	1	117.9790	0.000	1	117.9790	0.000	1	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O)	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[5,6]C[5,6a]C[5,6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	117.7920	0.000	2	117.7920	0.000	2	117.7920	0.000	2	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(O){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<3>,3|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){1|C<3>,6|C<4>}	117.1850	0.000	1	117.1850	0.000	1	117.1850	0.000	1	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(O)	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6,6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|Fe<10>,1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	118.1750	0.000	1	118.1750	0.000	1	118.1750	0.000	1	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	116.5590	0.000	1	116.5590	0.000	1	116.9175	0.257	2	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|C<3>,1|O<2>,5|C<4>}	117.2760	0.000	1	117.2760	0.000	1	116.9175	0.257	2	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O){1|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]O){1|Br<1>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|O<1>}	116.9510	0.000	1	116.9510	0.000	1	116.9510	0.000	1	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[6]C[6,6]C[6a]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H){1|C<3>,1|C<4>,1|O<1>}	118.9630	0.000	1	118.9630	0.000	1	118.6240	0.089	3	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6,6](C[6]C[6a]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	118.4545	0.081	2	118.4545	0.007	2	118.6240	0.089	3	120.4263	3.100	73	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6,6a]H)(C[6]C[6]H){1|N<2>,1|O<2>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|C<4>,2|H<1>}	121.5530	0.000	1	121.5530	0.000	1	121.5530	0.000	1	119.6853	1.795	7	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	C[3x6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(O)	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(O){1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6]2)(C[6,6]C[6]2)(C[6]C[6]O){1|O<2>,2|C<4>,4|C<3>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|C<4>,2|C<3>}	121.1180	0.000	1	121.1180	0.000	1	121.1180	0.000	1	119.6853	1.795	7	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OC)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OC){1|C<3>,1|C<4>,1|O<1>}	118.0080	0.000	1	118.0080	0.000	1	119.2015	0.809	4	119.6853	1.795	7	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	119.4490	0.000	1	119.5993	0.263	3	119.2015	0.809	4	119.6853	1.795	7	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	120.1710	0.000	1	119.5993	0.263	3	119.2015	0.809	4	119.6853	1.795	7	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	119.1780	0.000	1	119.5993	0.263	3	119.2015	0.809	4	119.6853	1.795	7	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6,6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6,6]O)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<2>,2|H<1>,5|C<4>}	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6,6]O)(OH){2|C<3>,5|C<4>}	118.3200	0.000	1	118.3200	0.000	1	118.3200	0.000	1	119.6853	1.795	7	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]N[6]N)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6,6](C[6,6]N[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]N)(NOO){1|C<3>,2|C<4>}	121.3230	0.000	2	121.3230	0.000	2	121.3230	0.000	2	121.3230	0.000	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6,6]H)2(CC3)	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,2|C<4>,6|C<3>}	C[6](C[6]C[6,6]H)2(CC3){1|C<4>,2|C<3>}	123.9440	0.235	4	123.8264	0.111	5	123.8264	0.111	5	122.8265	1.567	16	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6,6]H)2(CC3)	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]H){1|H<1>,3|C<4>,5|C<3>}	C[6](C[6]C[6,6]H)2(CC3){1|C<4>,2|C<3>}	123.3560	0.000	1	123.8264	0.111	5	123.8264	0.111	5	122.8265	1.567	16	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)2(CC3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6]H)2(CC3){1|C<4>,2|C<3>}	121.9040	0.308	2	121.9040	0.095	2	122.5413	0.294	7	122.8265	1.567	16	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)2(CC3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6,6]H)2(CC3){1|C<4>,2|C<3>}	122.8918	0.342	4	122.7962	0.133	5	122.5413	0.294	7	122.8265	1.567	16	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)2(CC3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)2(CC3){1|C<4>,2|C<3>}	122.4140	0.000	1	122.7962	0.133	5	122.5413	0.294	7	122.8265	1.567	16	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]N[6]Os)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|Os<8>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6,6]C[6]N[6]Os)(C[6]C[6]H)2{1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3){1|Os<8>,1|C<3>,1|C<4>}	120.5660	0.294	2	120.5660	0.087	2	120.5660	0.087	2	122.8265	1.567	16	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]S)(H)	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6,6](C[6,6]C[6]O[6]H)(C[6]C[6,6a]O)(C[6]C[6]H){1|S<4>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,2|O<2>}	122.1250	0.000	1	122.1250	0.000	1	122.1250	0.000	1	122.8265	1.567	16	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){2|C<4>,3|C<3>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,3|C<3>,4|H<1>}	125.0460	0.000	1	125.0460	0.000	1	125.0460	0.000	1	122.8265	1.567	16	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	124.0530	0.000	1	123.8640	0.560	4	123.8640	0.560	4	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]Cl)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	123.8010	0.903	3	123.8640	0.560	4	123.8640	0.560	4	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:Cl-1:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6]C[5,6]HO)(C[6,6]C[6]2)(C[6]C[6]Cl){1|H<1>,1|N<3>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,1|O<1>}	122.2071	0.136	8	122.2071	0.018	8	122.2071	0.018	8	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,2|C<4>,9|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	122.8430	0.000	1	122.8430	0.000	1	122.8430	0.000	1	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|Cr<9>,1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]O[6]CC)(H){1|C<3>,1|C<4>}	119.3450	0.000	1	119.3450	0.000	1	119.3450	0.000	1	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(H){1|C<3>,1|H<1>,2|C<4>}	123.0470	0.000	1	123.0470	0.000	1	122.9931	0.187	8	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)2{1|O<2>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(H){1|C<3>,1|H<1>,2|C<4>}	123.1324	0.472	5	123.1324	0.223	5	122.9931	0.187	8	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>,2|O<2>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]H)2{1|C<3>,1|C<4>,1|O<1>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(H){1|C<3>,1|C<4>,2|H<1>}	122.7580	0.000	1	122.7580	0.000	1	122.9931	0.187	8	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]H)2{2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]N[6]HH)(H){1|C<3>,2|C<4>}	122.4780	0.000	1	122.4780	0.000	1	122.9931	0.187	8	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	123.1110	0.000	1	123.1110	0.000	1	123.5273	0.233	19	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	123.5640	0.000	1	123.5640	0.000	1	123.5273	0.233	19	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	123.4650	0.000	1	123.4650	0.000	1	123.5273	0.233	19	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	123.1090	0.000	1	123.2758	0.114	4	123.5273	0.233	19	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	123.3313	0.391	3	123.2758	0.114	4	123.5273	0.233	19	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	123.6880	0.000	1	123.7542	0.129	5	123.5273	0.233	19	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	123.7708	0.412	4	123.7542	0.129	5	123.5273	0.233	19	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	123.8220	0.651	3	123.8220	0.423	3	123.5273	0.233	19	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CH)(O){1|C<3>,1|C<4>,2|H<1>}	123.7450	0.000	1	123.7450	0.000	1	123.5273	0.233	19	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|H<1>}	123.5810	0.000	1	123.5810	0.000	1	123.5273	0.233	19	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O){1|C<3>,1|C<4>,2|H<1>}	123.8600	0.000	1	123.8600	0.000	1	123.5273	0.233	19	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.3530	0.000	1	122.3530	0.000	1	123.5273	0.233	19	123.0796	0.843	41	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:2:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:N-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NC[6a])	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|O<1>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|N<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NC[6a]){1|C<3>,1|C<4>,2|H<1>}	124.3310	0.102	2	124.3310	0.010	2	124.3310	0.010	2	123.4283	2.450	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:2:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(OC){1|C<3>,1|C<4>,2|H<1>}	121.6230	0.000	1	121.6230	0.000	1	121.6230	0.000	1	123.4283	2.450	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	3:4:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCC){1|C<3>,1|C<4>,2|H<1>}	123.1260	0.000	1	123.1260	0.000	1	123.1260	0.000	1	123.1260	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Br)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Br){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Br)(H){1|C<3>,2|H<1>,4|C<4>}	123.0050	0.000	1	123.0050	0.000	1	123.0050	0.000	1	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Cl)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Cl)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(Cl){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]Cl)(H){1|C<3>,2|H<1>,4|C<4>}	124.5590	0.000	1	124.5590	0.000	1	124.5590	0.000	1	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<2>}	C[6,6](C[3x6]C[6,6a]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]H){2|C<3>,3|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]O[6]O)(C[6]C[6,6]H)(H){1|C<4>,2|C<3>,2|H<1>}	122.1640	0.000	1	122.1640	0.000	1	122.1640	0.000	1	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[6]H)2{1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(O){1|C<3>,3|C<4>,3|H<1>}	120.8270	0.031	2	120.8270	0.001	2	120.8270	0.001	2	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H)	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]H)2	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H){1|N<3>,3|C<4>,3|H<1>}	C[6,6](C[3x6]C[6,6]N[6,6]C)(C[6]C[6]H)2{4|C<4>,4|H<1>}	C[6](C[6]N[6,6]HH)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>}	121.7510	0.000	1	121.7510	0.000	1	121.7510	0.000	1	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,5,6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6]C[5,6]CO)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,5,6,6]C[6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[5,5,6,6]C[5,5,6]C[5,6a]C[5,6])(C[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,2|O<2>,4|C<3>}	C[6](C[6]C[5,6]CO)(C[6]C[6,6]H)(O){1|C<3>,1|H<1>,2|C<4>}	122.5470	0.243	2	122.5470	0.059	2	122.5470	0.059	2	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[5,6,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)2{2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,2|O<2>}	119.4980	0.000	1	119.4980	0.000	1	119.4980	0.000	1	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6]C[6]BrH)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6,6]H)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[6]BrH)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,2|H<1>}	120.8800	0.000	1	120.8800	0.000	1	120.8800	0.000	1	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[5,6]C[5,6]C[5])(C[6]C[6]H){5|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	122.3410	0.000	1	122.3410	0.000	1	122.3410	0.000	1	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H){1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(H){1|C<3>,6|C<4>}	123.6165	0.122	2	123.6165	0.015	2	123.6165	0.015	2	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](C[6]C[6a]2O[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|Cr<9>,1|O<2>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]2O[6])(C[6]C[6,6]H)(H){1|C<4>,5|C<3>}	119.8210	0.000	1	119.8210	0.000	1	120.3585	0.578	2	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H)	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|Cr<9>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]Cr)(C[6,6]C[6]O[6])(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6a]O[6]C)(C[6]C[6,6]H)(H){1|C<4>,3|C<3>}	120.8960	0.000	1	120.8960	0.000	1	120.3585	0.578	2	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H){1|Cl<1>,1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]Cl)(C[6]C[6]H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,3|H<1>}	123.1100	0.000	1	123.1100	0.000	1	123.5347	0.135	3	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]H)2	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[3,6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6,6]H)(O){1|C<3>,1|C<4>,1|H<1>}	123.7470	0.000	2	123.7470	0.000	2	123.5347	0.135	3	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]H)2{1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	123.2820	0.000	2	123.2820	0.000	2	123.0906	0.151	5	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	122.6370	0.000	1	122.6810	0.004	2	123.0906	0.151	5	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|Cl<1>,1|H<1>,2|C<3>,3|C<4>}	122.7250	0.000	1	122.6810	0.004	2	123.0906	0.151	5	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6a]H)(C[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	123.5270	0.000	1	123.5270	0.000	1	123.0906	0.151	5	122.3893	1.832	23	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]H)(C[6]O[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|H<1>,2|C<4>,3|C<3>}	122.8650	0.081	2	122.8650	0.006	2	122.3435	3.972	4	122.3435	3.972	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]C[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]H)(C[6]C[6a]O[6])(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	124.1480	0.000	1	124.1480	0.000	1	122.3435	3.972	4	122.3435	3.972	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]O[6]H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]H)(C[6]O[6]H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6,6]H)(CHO){1|H<1>,2|C<4>,3|C<3>}	119.4960	0.000	1	119.4960	0.000	1	122.3435	3.972	4	122.3435	3.972	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]O[6]O)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	122.3250	0.000	1	121.3800	0.766	3	121.3800	0.766	3	122.4571	0.881	19	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]O[6]O)(H)	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6]O[3])(C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H){1|O<1>,2|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<4>}	120.9075	0.439	2	121.3800	0.766	3	121.3800	0.766	3	122.4571	0.881	19	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]O)(H)	C[6,6](C[3x6]C[6,6]2C)(C[6]C[5]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6,6])(O)	C[6](C[6,6]C[3x6]C[6])(C[6]O[6]O)(H){6|C<4>}	C[6,6](C[3x6]C[6,6]2C)(C[6]C[5]C[6]C)(C[6]C[6]H){1|O<1>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6,6])(O){1|H<1>,3|C<4>}	123.2600	0.000	1	123.2600	0.000	1	123.2600	0.000	1	122.4571	0.881	19	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[4x6]-4:C[3,6,6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[3,6,6]C[4x6])(C[6]O[6]O)(H)	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[3,6,6]C[4x6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	C[6,6](C[4x6]C[5,6,6]C[3x6]C[6,6])(C[3,6,6]C[3,6]C[6]O[3])(C[6]C[6]H){1|O<1>,3|H<1>,3|O<2>,7|C<4>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){4|C<4>}	122.0890	0.629	3	122.0890	0.395	3	122.0890	0.395	3	122.4571	0.881	19	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[4x6]-4:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[4x6]C[6])(C[6]O[6]O)(H)	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[4x6]C[6])(C[6]O[6]O)(H){2|H<1>,4|C<4>}	C[6,6](C[4x6]C[4x6]C[6,6]C[6])(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,3|O<2>,5|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	122.4910	0.218	2	122.4910	0.047	2	122.4910	0.047	2	122.4571	0.881	19	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]O[6]O)(H)	C[6,6](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	C[6,6](C[5,5,6]C[3x5,6]C[5,6]O[5])(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	122.6670	0.000	1	122.6670	0.000	1	122.6670	0.000	1	122.4571	0.881	19	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[5,6])(O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]O[6]O)(H){1|O<2>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6]O[5])(C[6]C[6]CC)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[5,6])(O){1|H<1>,3|C<4>}	124.7980	0.000	1	124.7980	0.000	1	124.7980	0.000	1	122.4571	0.881	19	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|O<2>,6|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	122.1190	0.000	1	122.1190	0.000	1	123.0175	1.615	2	122.4571	0.881	19	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]2)(C[6]O[6]O)(H){1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]2C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>,4|O<2>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	123.9160	0.000	1	123.9160	0.000	1	123.0175	1.615	2	122.4571	0.881	19	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	122.8000	0.485	2	122.8000	0.235	2	122.4225	0.235	6	122.4571	0.881	19	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	122.4055	0.202	2	122.4055	0.041	2	122.4225	0.235	6	122.4571	0.881	19	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:2:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(O[6]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]O)(H){1|C<3>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CO)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[6](C[6]C[6,6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	122.0620	0.595	2	122.0620	0.354	2	122.4225	0.235	6	122.4571	0.881	19	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]FeH)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|Fe<7>,1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]FeH)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	120.2300	0.000	1	120.4397	0.062	3	120.4397	0.062	3	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]FeH)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|Fe<7>,1|H<1>,5|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]FeH)(C[6]C[6]H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|Fe<7>,1|H<1>,5|C<4>}	120.5445	0.241	2	120.4397	0.062	3	120.4397	0.062	3	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<2>,2|C<4>,3|C<3>,9|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	122.8050	0.000	1	122.5405	0.140	2	122.5405	0.140	2	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<4>,2|O<2>,3|C<3>,8|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>}	122.2760	0.000	1	122.5405	0.140	2	122.5405	0.140	2	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,2|C<4>}	121.5740	0.000	1	121.5740	0.000	1	121.5740	0.000	1	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){2|H<1>,5|C<4>}	121.5740	0.000	1	121.5740	0.000	1	121.3500	0.100	2	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){1|O<2>,6|C<4>}	C[6,6](C[5,6]C[5,6]O[5]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){2|C<3>,4|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H){1|H<1>,6|C<4>}	121.1260	0.000	1	121.1260	0.000	1	121.3500	0.100	2	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O){1|C<3>,1|H<1>,4|C<4>}	122.1980	0.000	1	122.1980	0.000	1	122.1980	0.000	1	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(H){1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){2|C<3>,5|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){1|O<2>,6|C<4>}	122.0500	0.000	1	122.0500	0.000	1	122.0500	0.000	1	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){1|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]H)(O){1|C<3>,5|C<4>}	124.9370	0.000	1	124.9370	0.000	1	124.9370	0.000	1	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){2|C<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	124.0450	0.065	2	124.0450	0.004	2	123.8097	0.168	3	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2O)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	123.3390	0.000	1	123.3390	0.000	1	123.8097	0.168	3	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]H)(H){2|H<1>,5|C<4>}	122.2180	0.000	1	122.2180	0.000	1	122.0438	0.174	4	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|N<2>,2|C<3>,3|C<4>}	121.4860	0.000	1	121.4860	0.000	1	122.0438	0.174	4	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]N[6]Zr)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|Zr<7>,1|N<4>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]N[6]Zr)(C[6]C[6]HH)(C[6]C[6]H){1|Al<4>,1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|Zr<7>,1|N<4>,2|H<1>,3|C<4>}	122.2355	0.329	2	122.2355	0.108	2	122.0438	0.174	4	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|C<3>,1|O<2>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,4|C<4>}	124.5630	0.000	1	124.5630	0.000	1	124.5630	0.000	1	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(H)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(H){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]H)(O){1|O<2>,2|C<3>,2|C<4>}	123.9800	0.000	1	123.9800	0.000	1	123.9800	0.000	1	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]2Rh)(C[6]C[6]RhH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Rh<7>,1|C<3>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2Rh)(C[6]C[6]RhH)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	120.7820	0.000	1	120.7820	0.000	1	120.9013	0.855	3	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]Zr)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Zr<11>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6,6](C[6,6]C[6]N[6]Zr)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|C<5>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){3|C<4>}	121.8800	0.000	1	121.8800	0.000	1	120.9013	0.855	3	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]O[6]Li)(C[6]C[6,6]CC)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Li<5>,1|C<3>,1|H<1>,1|O<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]Li)(C[6]C[6,6]CC)(C[6]C[6]H){1|Li<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Li<4>,1|Li<5>,2|C<4>}	120.0420	0.000	1	120.0420	0.000	1	120.9013	0.855	3	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	122.9035	0.419	2	122.9035	0.176	2	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]Br)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]Br)(O){1|H<1>,2|C<4>}	123.1930	0.315	2	123.1930	0.099	2	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Br<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	123.2820	0.126	2	123.1098	0.940	42	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|F<1>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	122.7681	0.447	8	123.1098	0.940	42	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	123.2373	1.230	23	123.1098	0.940	42	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|F<1>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	123.2185	0.588	2	123.1098	0.940	42	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	122.9375	0.291	2	123.1098	0.940	42	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	123.1205	0.764	4	123.1098	0.940	42	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	122.6500	0.000	1	123.1098	0.940	42	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	122.2680	0.000	1	122.2680	0.000	1	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	124.5460	0.000	1	124.5460	0.000	1	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O){1|H<1>,2|C<4>}	123.5360	0.319	4	123.5360	0.101	4	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	123.8405	0.818	2	123.8405	0.669	2	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O){1|H<1>,2|C<4>}	123.2300	0.000	1	123.2300	0.000	1	123.1759	0.819	55	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6,6](C[6]C[3x3,4,3x5,14x6]C[6,6]H)(C[6,6]C[6]N[6]Zr)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Zr<14>,1|C<5>,1|N<3>,2|C<3>,2|H<1>}	C[6,6](C[6]C[3x3,4,3x5,14x6]C[6,6]H)(C[6,6]C[6]N[6]Zr)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>,4|B<6>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	120.2550	0.000	1	120.2550	0.000	1	120.2550	0.000	1	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6]C[6a]2C[6])(C[6,6]C[6]2F)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6]C[6a]2C[6])(C[6,6]C[6]2F)(C[6]C[6]H){1|C<4>,1|O<1>,5|C<3>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	123.8232	0.423	6	123.8232	0.179	6	123.8232	0.179	6	122.9244	1.381	85	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(CCO)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(H){1|C<3>,6|C<4>}	C[6,6](C[5,6,6]C[5,6]2C)(C[6]C[6]CC)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(CCO){1|C<3>,1|H<1>,2|C<4>}	124.9270	0.000	1	124.9270	0.000	1	124.9270	0.000	1	124.9270	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:3:4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6]O[6]Th)(C[6]C[6,6]CC)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|Th<17>,1|C<3>,1|H<1>,1|O<3>,3|C<4>}	C[6,6](C[6,6]C[6]O[6]Th)(C[6]C[6,6]CC)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3){1|Th<17>,1|N<3>,2|C<4>}	122.5565	0.960	2	122.5565	0.921	2	122.5565	0.921	2	122.5565	0.921	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:Cl-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl)	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(Cl){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]Cl){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	124.7460	0.000	1	124.7460	0.000	1	124.7460	0.000	1	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	C[6,6](C[3,6]C[3,6]C[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	124.4505	0.071	2	124.4505	0.005	2	124.2283	0.151	3	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[3,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H)	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]O)(H){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[3,6]C[3,6]O[3]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.7840	0.000	1	123.7840	0.000	1	124.2283	0.151	3	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|C<2>,1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|H<1>,3|C<4>}	124.6550	0.000	2	124.0352	0.580	5	123.5580	1.058	7	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|C<3>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){1|O<1>,1|O<2>,4|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	122.8450	0.000	1	124.0352	0.580	5	123.5580	1.058	7	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){2|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2C)(C[6]C[6]H){2|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	124.0105	0.364	2	124.0352	0.580	5	123.5580	1.058	7	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6,6]C[6]O[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	C[6](C[6]C[6,6]H)(C[6]O[6]CH)(O){2|C<4>}	122.3650	0.216	2	122.3650	0.047	2	123.5580	1.058	7	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	124.3650	0.000	1	123.9140	0.157	3	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.6885	0.094	2	123.9140	0.157	3	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	124.7423	0.694	3	124.7423	0.482	3	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]FH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|F<1>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]FH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.4210	0.000	1	123.4210	0.000	1	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	124.6160	0.000	1	123.9794	0.470	73	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.9467	0.598	6	123.9794	0.470	73	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|H<1>,1|O<2>,2|C<4>}	123.2010	0.701	3	123.9794	0.470	73	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|H<1>,1|S<2>,2|C<4>}	123.4190	0.000	1	123.9794	0.470	73	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|S<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.1518	0.920	5	123.9794	0.470	73	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	124.1053	0.613	56	123.9794	0.470	73	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.5190	0.000	1	123.9794	0.470	73	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.1481	0.712	16	123.1481	0.507	16	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HO)(O){2|C<4>,2|H<1>}	122.8160	0.000	1	122.8160	0.000	1	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	122.9750	0.000	1	123.4315	0.417	2	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.8880	0.000	1	123.4315	0.417	2	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[5,6]HH)(C[6]C[6]H){1|N<3>,2|C<4>,2|O<1>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.2040	0.000	1	123.2040	0.000	1	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<2>,2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]H){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	124.8080	0.000	1	124.8080	0.000	1	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){2|C<4>,2|O<1>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	124.9200	0.000	1	123.8942	0.337	5	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	123.5725	0.129	2	123.8942	0.337	5	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|H<1>,3|C<4>}	123.7030	0.008	2	123.8942	0.337	5	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.6510	0.523	3	123.6510	0.274	3	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.0560	0.000	1	123.1590	0.021	2	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.2620	0.000	1	123.1590	0.021	2	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){1|C<3>,1|H<1>,2|C<4>}	122.7580	0.000	1	122.6100	0.017	3	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	122.5360	0.018	2	122.6100	0.017	3	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]CH)(C[6]C[6]H){2|C<4>,2|H<1>,2|O<1>,2|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]CO)(O){1|H<1>,1|O<2>,2|C<4>}	122.9410	0.000	1	122.9410	0.000	1	123.7866	0.576	115	123.7920	0.593	126	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:2:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:N-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NN)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NN){2|C<4>,2|H<1>}	124.6245	0.476	2	124.6245	0.226	2	123.4807	4.038	3	123.4807	4.038	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:2:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:N-2:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|N<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	121.1930	0.000	1	121.1930	0.000	1	123.4807	4.038	3	123.4807	4.038	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	3:4:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCH){2|C<4>,2|H<1>}	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1	122.4330	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[3,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[3,6,6]C[6,6])(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,6|C<4>}	C[6,6](C[3,6,6]C[3,6]C[5,6]O[3])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,4|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6,6]H)(O){1|C<3>,5|C<4>}	125.2060	0.000	1	125.2060	0.000	1	125.2060	0.000	1	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H)	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[6,6](C[3x6]C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6,6]H)(O){1|H<1>,1|N<3>,2|C<4>}	123.8660	0.000	1	123.8660	0.000	1	123.8660	0.000	1	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,2|C<3>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,2|O<1>,4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	122.0740	0.000	1	121.7780	0.107	6	120.9821	1.524	9	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,3|C<3>,4|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|C<3>,2|O<1>,4|C<4>,6|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){1|C<3>,2|H<1>,3|C<4>}	121.7615	0.564	2	121.7780	0.107	6	120.9821	1.524	9	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,7|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]C[6])(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,5|C<4>,8|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6,6]H)(O){3|H<1>,4|C<4>}	121.6903	0.230	3	121.7780	0.107	6	120.9821	1.524	9	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){2|H<1>,2|O<2>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O){1|O<2>,4|C<4>}	119.2075	0.233	2	119.2075	0.054	2	120.9821	1.524	9	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]O)(C[6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[5,6]O)(H){1|H<1>,3|O<2>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[6]O[5])(C[6,6]C[6,6]C[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,6|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O){1|O<2>,4|C<4>}	119.7560	0.000	1	119.7560	0.000	1	120.9821	1.524	9	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]O)(H)	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[5,6]O)(H){1|C<3>,1|O<2>,2|H<1>,4|C<4>}	C[6,6](C[5,6,6]O[5,6]C[5]C[6])(C[6]C[6]CH)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6,6]H)(O){2|H<1>,3|C<4>}	119.7460	0.000	1	119.7460	0.000	1	119.7460	0.000	1	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H)	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]O)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6,6]C[5,6]2O)(C[6]C[6]CH)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,2|C<4>}	123.3920	0.000	1	123.3920	0.000	1	123.3920	0.000	1	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	C[6,6](C[5,6]C[5,6]C[5]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O){1|C<3>,6|C<4>}	122.8790	0.000	1	122.8790	0.000	1	122.5167	0.405	7	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6,6]C[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	123.0850	0.000	1	123.0850	0.000	1	122.5167	0.405	7	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[6]C[6]H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]H)(C[6,6]C[6]O[6]O)(C[6]C[6]H){1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6,6]H)(O){1|O<2>,2|H<1>,5|C<4>}	123.3790	0.000	1	123.3790	0.000	1	122.5167	0.405	7	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|O<2>,2|H<1>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	121.9500	0.247	2	121.9500	0.061	2	122.5167	0.405	7	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H)	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6,6]O)(H){1|H<1>,2|O<2>,5|C<4>}	C[6,6](C[5,6]C[5,6]C[5]O)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	122.1870	0.559	2	122.1870	0.312	2	122.5167	0.405	7	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-4:C[6]-3:	C[3,6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,6,6]O)(H)	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H)	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6,6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[3,6,6]O)(H){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]H)(C[5,6]C[5,6]C[5]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[3,6,6]C[3,6,6]C[3]C[6])(C[6]C[6,6]H)(O){4|C<4>,4|H<1>}	124.0000	0.000	1	124.0000	0.000	1	124.0000	0.000	1	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[3x6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[3x6]O)(H)	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[3x6]O)(H){8|C<4>}	C[6,6](C[6,6]C[4x6]C[6]C)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,5|C<4>,5|H<1>}	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,5|C<4>}	124.7190	0.000	1	124.7190	0.000	1	124.7190	0.000	1	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H){1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O){1|O<2>,7|C<4>}	125.5335	0.346	2	125.5335	0.120	2	125.6713	0.117	3	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H){1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[5,6,6]C[5,6]C[6,6]O[5])(C[6]C[6,6]H)(O){1|C<3>,7|C<4>}	125.9470	0.000	1	125.9470	0.000	1	125.6713	0.117	3	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]O)(H)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6]O)(H){1|H<1>,7|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6,6]C[6,6]C[6]C)(C[6]C[6]H){1|O<1>,5|C<4>,6|H<1>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	123.9640	0.000	1	123.9640	0.000	1	123.9640	0.000	1	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){1|H<1>,1|O<2>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6,6]H)(O){1|O<2>,6|C<4>}	124.8473	0.567	3	124.8473	0.321	3	124.7630	0.171	22	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,6|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){7|C<4>}	124.9915	0.046	2	124.8121	0.093	18	124.7630	0.171	22	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,3|H<1>,8|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){1|C<3>,6|C<4>}	125.2530	0.000	1	124.8121	0.093	18	124.7630	0.171	22	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){1|C<3>,6|C<4>}	124.5015	0.176	2	124.8121	0.093	18	124.7630	0.171	22	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){2|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6,6]C[6]H)(C[6]C[6]H){1|O<1>,4|H<1>,7|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){7|C<4>}	124.7983	0.302	13	124.8121	0.093	18	124.7630	0.171	22	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6,6]O)(H){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6,6]H)(O){1|H<1>,6|C<4>}	123.6260	0.000	1	123.6260	0.000	1	124.7630	0.171	22	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){1|C<3>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O){1|H<1>,1|O<2>,5|C<4>}	123.6700	0.000	1	123.8478	0.286	4	123.8478	0.286	4	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	123.6700	0.000	1	123.8478	0.286	4	123.8478	0.286	4	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	123.4210	0.000	1	123.8478	0.286	4	123.8478	0.286	4	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(H){3|H<1>,5|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(O){2|H<1>,5|C<4>}	124.6300	0.000	1	123.8478	0.286	4	123.8478	0.286	4	123.6257	2.963	52	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:2:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	N[6,6]-3:N[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OC)	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OC){1|B<4>,1|H<1>,2|C<3>}	C[6,6](N[6,6]B[6]C[6])(N[6]C[5a,6])(C[6]C[6]O){1|N<3>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	119.9465	0.112	2	119.9465	0.013	2	119.9465	0.013	2	119.9465	0.013	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:2:	3:2:3:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:N-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(ONi)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6])	C[6](C[6]C[6,6]O)(C[6]C[6])(NC[6]Ni)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(ONi){1|C<3>,2|C<2>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]C[6]){1|N<3>,1|O<1>,2|C<2>}	C[6](C[6]C[6,6]O)(C[6]C[6])(NC[6]Ni){1|C<2>,1|C<3>,1|O<1>}	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	120.2060	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(OC)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(OC){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(O[6]C[6]){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	121.8070	0.000	1	121.8070	0.000	1	121.8070	0.000	1	121.8070	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(OH)	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(OH){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[6,6](C[6,6]N[5,6]C[6])(C[6]C[6]O)(O[6]C[6]){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|O<1>,1|O<2>}	117.1680	0.000	1	117.1680	0.000	1	116.8120	0.253	2	116.8120	0.253	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(OH)	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(OH){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[6,6](C[6,6]N[6,6]C[6])(C[6]C[6]O)(O[6]C[6]){1|C<2>,1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|O<1>,1|O<2>}	116.4560	0.000	1	116.4560	0.000	1	116.8120	0.253	2	116.8120	0.253	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OCo)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(C[6]O[6]O)	C[6](C[6]C[6,6]O)(C[6]O[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OCo){1|C<2>,1|C<4>,3|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)(C[6]O[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]O[6]C)(H){2|C<3>}	114.6590	0.000	1	114.6590	0.000	1	118.3375	27.063	2	118.1936	3.009	11	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)2	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]O)2{1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	122.0160	0.000	1	122.0160	0.000	1	118.3375	27.063	2	118.1936	3.009	11	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OIr)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OIr){1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ir)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	117.7860	0.000	1	117.7860	0.000	1	118.3465	0.195	4	118.1936	3.009	11	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OOs)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Os)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OOs){1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Os)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	118.7080	0.000	1	118.7080	0.000	1	118.3465	0.195	4	118.1936	3.009	11	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORh)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORh){1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Rh)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	118.2020	0.000	1	118.2020	0.000	1	118.3465	0.195	4	118.1936	3.009	11	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORu)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORu){1|O<1>,3|C<3>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Ru)(C[6]C[6]O){1|Cl<1>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	118.6900	0.000	1	118.6900	0.000	1	118.3465	0.195	4	118.1936	3.009	11	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OC)	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6,6](C[6]C[6,6a]O)(C[6,6]C[6]2)(C[6]C[6]O){1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	119.2510	0.000	1	119.2510	0.000	1	119.2510	0.000	1	118.1936	3.009	11	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	N[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OMn)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mn)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OMn){1|H<1>,3|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Mn)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.7980	0.000	1	117.7980	0.000	1	117.7045	0.078	4	118.1936	3.009	11	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	N[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(ONi)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(ONi){1|H<1>,3|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Ni)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.7225	0.455	2	117.7225	0.207	2	117.7045	0.078	4	118.1936	3.009	11	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	N[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OZn)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OZn){1|H<1>,3|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Zn)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.5750	0.000	1	117.5750	0.000	1	117.7045	0.078	4	118.1936	3.009	11	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:N[6]-3:N-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C)	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C){1|C<4>,2|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C)(N[6]C[5,6]C)(NHH){4|C<3>}	121.1650	0.000	1	121.1650	0.000	1	121.1650	0.000	1	119.9877	2.693	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C-2:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6])(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6])(CN){1|C<2>,1|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]C[6]2)(C[6]C[6]C){1|C<4>,1|N<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	120.6850	0.000	1	120.6850	0.000	1	120.6850	0.000	1	119.9877	2.693	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]O)(C[6]N[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(COO){1|C<4>,2|C<3>}	118.1130	0.000	1	118.1130	0.000	1	118.1130	0.000	1	119.9877	2.693	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]N)(CN){2|C<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6]C){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH){4|C<3>}	121.9580	0.000	2	121.9580	0.000	2	121.9580	0.000	2	121.9580	0.000	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[3x6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(OH)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O)	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(OH){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]CH)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(O){1|C<3>,1|C<4>,1|O<2>}	122.4200	0.000	1	122.4200	0.000	1	122.4200	0.000	1	121.8512	0.415	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6,6a]-3:C[5,6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6,6a]C[5,6])(C[6]C[6,6a]O)(OC)	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6,6a]C[5,6])(C[6]C[6,6a]O)(OC){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6,6a]C[6,6a,6a]C[6,6,6a])(C[5,6]C[5,6]C[5]H)(C[6]C[6]O){1|O<1>,2|O<2>,3|C<3>,4|C<4>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6,6]O)(O){1|C<4>,1|O<2>,3|C<3>}	121.6617	0.638	3	121.6617	0.407	3	121.6617	0.407	3	121.8512	0.415	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:4:3:	3:3:3:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]O){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO){1|C<3>,3|C<4>}	123.3047	0.081	3	123.3047	0.007	3	123.3047	0.007	3	123.3047	0.007	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:4:3:	4:3:1:	C[6,6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]O)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]O)(CN){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C){1|O<1>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	123.8090	0.202	2	123.8090	0.041	2	123.8090	0.041	2	123.8090	0.041	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	3:4:3:	4:3:2:	C[6,6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[5,6]-4:C[6]-3:N-2:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]N)(CN)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]N)(CN){1|H<1>,2|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2H)(C[6]C[6]C){1|N<2>,2|C<4>,3|C<3>,4|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	123.6527	0.414	7	123.6527	0.171	7	123.6527	0.171	7	123.6527	0.171	7	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:2:3:	3:4:2:	C[6,6]-3:C[6]-3:S-2:	C[6,6]-4:N[6]-2:C[6]-3:	C[6]-3:C[6]-4:S-2:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]S)(SMo)	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a])(C[6]C[6]S)	C[6](C[6]C[6,6]S)(C[6]O[6]CC)(SMo)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]S)(SMo){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6,6](C[6,6]N[6]O[6]H)(N[6]C[6,6a])(C[6]C[6]S){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6,6]S)(C[6]O[6]CC)(SMo){1|C<4>,1|N<2>}	119.7780	0.648	2	119.7780	0.420	2	119.7780	0.420	2	119.7780	0.420	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:N-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(NN)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N)	C[6](C[6]C[6,6]N)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(NN){1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(C[6]C[6]N){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	116.9240	0.000	1	116.9240	0.000	1	116.9240	0.000	1	120.8726	10.411	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(OH)	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6,6](C[5,6,6]C[5,6]N[5,6]H)(C[6]C[6,6a]O)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	118.3570	0.000	1	118.3570	0.000	1	118.3570	0.000	1	120.8726	10.411	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(OC[6a])	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(OC[6a]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6,6]C[6]2)(C[6]C[6]O){1|C<3>,1|O<1>,3|C<4>,6|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	124.7670	0.000	1	124.7670	0.000	1	124.7670	0.000	1	120.8726	10.411	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(OH){2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6,6]C[6]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	122.9500	0.000	1	122.9500	0.000	1	122.9500	0.000	1	120.8726	10.411	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[5a,6]O)(C[6]C[6]O){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	121.3650	0.000	1	121.3650	0.000	1	121.3650	0.000	1	120.8726	10.411	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:3:2:	C[6,6]-3:C[6]-3:C-2:	C[3x6]-4:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-2:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<2>,2|C<4>,4|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]C)(CC){1|H<1>,2|C<4>,3|C<3>}	120.6030	0.071	2	120.6030	0.005	2	120.6030	0.005	2	120.6030	0.005	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CNO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CC){3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(CNO){1|C<3>,1|C<4>,2|H<1>}	122.5775	0.552	2	122.5775	0.305	2	122.5775	0.305	2	123.8750	2.346	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:N-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<3>,1|S<2>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH){1|C<4>,1|H<1>,2|C<3>}	125.1600	0.000	1	125.1725	0.000	2	125.1725	0.000	2	123.8750	2.346	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:N-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(NHH){1|C<4>,1|H<1>,2|C<3>}	125.1850	0.000	1	125.1725	0.000	2	125.1725	0.000	2	123.8750	2.346	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:N-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>,2|O<1>}	124.7060	0.000	1	124.7060	0.000	1	124.7060	0.000	1	125.2665	0.628	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN)	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(CN){2|C<2>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[5,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6,6]C)(NHH){1|C<4>,3|C<3>}	125.8270	0.000	1	125.8270	0.000	1	125.8270	0.000	1	125.2665	0.628	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:N-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(NN)	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6,6]N)(C[6]C[6]N)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(NN){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6,6](C[6,6]C[6,6]C[6]N)(C[6]C[6]HH)(C[6]C[6]N){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]N)(O){1|H<1>,2|C<4>}	122.9730	0.000	1	122.9730	0.000	1	122.9730	0.000	1	123.1060	0.879	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[3,6,6]-4:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[3,6,6]C[6])(C[6]C[6,6]O)(OH){2|C<3>,5|C<4>}	C[6,6](C[3,6,6]C[3,6]C[6,6]C[3])(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|C<4>,5|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(O){1|H<1>,1|O<2>,4|C<4>}	121.5840	0.000	1	121.5840	0.000	1	121.5840	0.000	1	123.1060	0.879	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[3x6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(OH)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(OH){1|C<3>,6|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6,6]C[6,6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|C<4>,7|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	123.6357	0.100	3	123.6357	0.010	3	123.6357	0.010	3	123.1060	0.879	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(OH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(OH){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){1|H<1>,2|C<3>,2|C<4>}	123.7835	0.005	2	123.8750	0.025	3	123.8750	0.025	3	123.1060	0.879	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(OH)	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]O)(OH){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6,6a]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]O)(O){2|C<4>,3|C<3>}	124.0580	0.000	1	123.8750	0.025	3	123.8750	0.025	3	123.1060	0.879	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH){2|C<3>,5|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O){3|C<4>}	121.9855	0.614	2	121.9855	0.378	2	121.9855	0.378	2	123.1060	0.879	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OC)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OC){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	125.1930	0.000	1	125.1930	0.000	1	124.1690	2.097	2	124.1690	2.097	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]O){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	123.1450	0.000	1	123.1450	0.000	1	124.1690	2.097	2	124.1690	2.097	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3,6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6,6]O)(O){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	123.6560	0.457	4	123.6560	0.209	4	124.3621	0.850	10	124.3621	0.850	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[3,6]C[6,6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(O){1|H<1>,2|C<3>,4|C<4>}	125.8510	0.000	1	125.8510	0.000	1	124.3621	0.850	10	124.3621	0.850	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){2|O<1>,3|C<4>,3|H<1>}	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O){1|H<1>,1|O<2>,5|C<4>}	123.7150	0.000	1	124.4527	0.529	3	124.3621	0.850	10	124.3621	0.850	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[3,5,6]C[6,6]C)(C[6]C[6,6]O)(O){1|H<1>,1|O<2>,5|C<4>}	124.8215	0.491	2	124.4527	0.529	3	124.3621	0.850	10	124.3621	0.850	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){2|C<3>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6,6]O)(O){1|C<3>,1|H<1>,5|C<4>}	125.6570	0.000	1	125.6570	0.000	1	124.3621	0.850	10	124.3621	0.850	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:2:	4:4:3:	4:3:1:	C[6,6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-4:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(OH){1|C<3>,7|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]CC)(C[6]C[6]O){1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6,6]O)(O){1|H<1>,2|C<3>,4|C<4>}	124.1310	0.000	1	124.1310	0.000	1	124.3621	0.850	10	124.3621	0.850	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:2:3:	C[6,6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-2:	C[6]-3:C[6]-2:P-3:	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P)	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6])	C[6](C[6]C[6,6]C[5a])(C[6]C[6])(PC[6]2)	C[6](C[6,6]C[6,6]C[6])(C[5a]N[5a]2)(C[6]C[6]P){2|C<3>,4|C<2>}	C[6,6](C[6]C[5a]C[6])(C[6,6]C[6]2)(C[6]C[6]){1|N<2>,1|N<3>,1|P<3>,2|C<2>}	C[6](C[6]C[6,6]C[5a])(C[6]C[6])(PC[6]2){1|C<2>,1|C<3>,1|N<2>,1|N<3>}	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	120.9990	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C-3:	N[6,6]-3:C[6]-3:N[6]-2:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(CC[6a]O)	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6,6a]H)(CC[6a]O){2|C<3>,2|C<4>}	C[6,6](N[6,6]C[6,6a]C[6])(C[6]C[6]C)(N[6]C[6]){1|C<3>,1|C<4>,1|N<2>,5|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	120.9890	0.000	1	120.9890	0.000	1	120.9890	0.000	1	120.9890	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|N<3>,2|C<2>,2|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6])(C[6]C[6a]N[6])(H){1|C<4>,6|C<3>}	118.7320	0.000	1	118.7320	0.000	1	118.7320	0.000	1	118.5730	0.501	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:N-3:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(NHH)	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N)	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6,6](C[6,6a]C[6,6a]N[6a])(N[6,6]C[6]2)(C[6]C[6]N){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.7220	0.000	1	117.7220	0.000	1	117.7220	0.000	1	118.5730	0.501	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:N-3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(NFeC)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N)	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(NFeC){1|H<1>,3|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Fe)(C[6]C[6]N){2|C<3>,4|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.2520	0.000	1	119.2520	0.000	1	119.2520	0.000	1	118.5730	0.501	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:O-3:	N[6,6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OCu2)	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(C[6]C[6]O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OCu2){1|H<1>,3|C<3>}	C[6,6](N[6,6]C[6]2)(N[6]C[6]Cu)(C[6]C[6]O){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.2090	0.000	1	119.2090	0.000	1	119.2090	0.000	1	118.5730	0.501	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6a]C[6])	C[6](C[6]C[6,6]C[6a])(C[6]O[6]W)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<2>,1|W<6>,2|H<1>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6])(C[6]C[6a]C[6]){1|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6]O[6]W)(H){4|C<3>}	117.9500	0.000	1	117.9500	0.000	1	117.9500	0.000	1	118.5730	0.501	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<2>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	120.2930	0.000	1	119.9866	0.102	5	119.9866	0.102	5	119.9866	0.102	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	120.0030	0.000	1	119.9866	0.102	5	119.9866	0.102	5	119.9866	0.102	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|N<2>,2|F<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	120.1310	0.000	1	119.9866	0.102	5	119.9866	0.102	5	119.9866	0.102	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|F<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	120.0570	0.000	1	119.9866	0.102	5	119.9866	0.102	5	119.9866	0.102	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|H<1>,7|C<3>}	119.4490	0.000	1	119.9866	0.102	5	119.9866	0.102	5	119.9866	0.102	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	120.2410	0.000	1	120.2410	0.000	1	120.2410	0.000	1	120.2410	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CHO){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O){1|H<1>,1|O<2>,2|C<3>}	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(CCO)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]O)(CCO){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6,6]C)(O){1|O<1>,1|O<2>,3|C<3>,4|H<1>}	118.9810	0.000	1	118.9810	0.000	1	118.9810	0.000	1	119.7563	0.674	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]H)(C[6a]C[6a]2)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6a]C[6])	C[6](C[5,6]C[5,6]C[5]N[5])(C[6]C[6,6]C[6a])(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[5,6]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,3|C<4>,4|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[5,6]C[6])(C[6]C[6a]C[6]){3|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]N[5])(C[6]C[6,6]C[6a])(H){3|H<1>,4|C<3>,4|C<4>}	119.6720	0.000	1	119.6720	0.000	1	119.6720	0.000	1	119.7563	0.674	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]O)	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a])(O)	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6,6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,3|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6,6]C[6a])(O){4|C<3>,5|C<4>}	120.6160	0.000	1	120.6160	0.000	1	120.6160	0.000	1	119.7563	0.674	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6,6]-3:C[6]-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O)	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH)	C[6](C[6]C[6,6]C[5])(N[6]C[6a]C[6])(O)	C[6](C[6,6]C[6,6]C[6])(C[5]S[5]2)(C[6]N[6]O){2|H<1>,3|C<3>,3|C<4>}	C[6,6](C[6]C[5]C[6])(C[6,6]C[6]2)(C[6]C[6]HH){1|N<3>,2|C<3>,2|H<1>,2|O<1>,2|S<2>}	C[6](C[6]C[6,6]C[5])(N[6]C[6a]C[6])(O){1|C<4>,1|O<1>,2|S<2>,3|C<3>}	118.1340	0.000	1	118.1340	0.000	1	118.1340	0.000	1	119.3383	1.463	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]N[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6a]C[6])(C[6]C[6]CH){1|Cd<5>,1|N<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6]C[6]N[6])(H){1|Cd<5>,1|C<4>,1|N<3>,4|C<3>}	119.3280	0.000	1	119.3280	0.000	1	119.3280	0.000	1	119.3383	1.463	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6,6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]O)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[3x6]C[6])(C[6]C[6a]C[6])(C[6]C[6,6]HH){1|N<3>,1|O<1>,2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]C[6a])(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	120.5530	0.000	1	120.5530	0.000	1	120.5530	0.000	1	119.3383	1.463	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6,6]-4:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,4|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6,6]C[6]2C){1|C<4>,1|N<3>,2|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6]C[6]CC)(O){1|C<4>,2|H<1>,3|C<3>}	120.6610	0.000	1	120.6610	0.000	1	120.6610	0.000	1	120.6610	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:3:4:	4:3:1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[5a,6,6]-3:C[6]-3:C[6]-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5a,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH)	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6,6]C[6a])(O)	C[6](C[6,6]C[5a,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,5|C<3>,5|H<1>}	C[6,6](C[5a,6,6]C[5a,6]2)(C[6]C[6a]C[6])(C[6]C[6]HH){1|O<1>,1|O<2>,2|C<4>,5|C<3>}	C[6](C[6]C[5a,6]C[6a]H)(C[6]C[6,6]C[6a])(O){1|C<4>,6|C<3>}	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	118.9130	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2)	C[6](C[6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]O[6]C)(C[6]C[6]2){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	120.5160	0.000	1	120.5160	0.000	1	120.5160	0.000	1	120.5160	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	4:3:2:	4:3:1:	C[6,6]-3:C[6]-3:C-3:	C[3x6]-4:C[6]-3:O[6]-2:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O)	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]C)(O)	C[6](C[6,6]C[3x6]O[6])(C[6]C[6,6]O)(CC[6a]O){1|C<3>,5|C<4>}	C[6,6](C[3x6]C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){2|O<1>,4|H<1>,5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6,6]C)(O){1|O<1>,1|O<2>,4|C<4>}	121.8640	0.218	3	121.8640	0.048	3	121.8640	0.048	3	121.8640	0.048	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C-3:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(CCO)	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5]O[6])(C[6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(CCO){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[5]O[6])(C[6]C[6]C)(C[6]C[6]O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5]O[6])(C[6]C[6,6]C)(H){1|C<4>,3|C<3>}	120.1580	0.000	1	120.1580	0.000	1	120.1580	0.000	1	120.1580	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C-3:	C[6]-4:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(COO)	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(COO){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6]C[6,6]HH)(C[6,6]C[6]2)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HO)(H){1|C<3>,1|C<4>,2|H<1>}	119.8940	0.000	1	119.8940	0.000	1	119.8940	0.000	1	120.0335	0.039	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a])(C[6]C[5,6]CC)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){3|C<4>,4|C<3>,4|H<1>}	C[6,6](C[5,6,6]C[5,6]2H)(C[6]C[6a]C[6])(C[6]C[6]H){1|C<4>,1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]C[6a])(C[6]C[5,6]CC)(H){1|C<4>,1|N<2>,3|C<3>}	120.1730	0.000	1	120.1730	0.000	1	120.1730	0.000	1	120.0335	0.039	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:C-3:	C[5,6,6]-4:C[5,6,6]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6,6]C[5,6,6]2)(C[6]C[6]O)(CCC)	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C)	C[6](C[6]C[5,6]HH)(C[6]C[6,6]C)(O)	C[6](C[6,6]C[5,6,6]2)(C[6]C[6]O)(CCC){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]C[6,6]O[5])(C[5,6,6]C[5,6]2)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,2|C<3>,7|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6,6]C)(O){1|C<3>,3|C<4>}	113.2110	0.000	1	113.2110	0.000	1	113.2110	0.000	1	116.1215	16.942	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6,6]-3:C[6]-3:C-3:	C[5,6]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O)	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C)	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(CC[6a]O){2|O<2>,5|C<3>}	C[6,6](C[5,6]C[5,6a]C[5]C[6])(C[6,6]C[6,6a]O[6])(C[6]C[6]C){1|C<4>,1|H<1>,1|N<3>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]O[6]O)(C[6]C[6,6]C)(H){1|C<4>,3|C<3>}	119.0320	0.000	1	119.0320	0.000	1	119.0320	0.000	1	116.1215	16.942	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[3x6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[3x6]O[6])(C[6]C[6]O)(CH3)	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6](C[6,6]C[3x6]O[6])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6,6](C[3x6]C[6,6]2)(C[6]C[6]C)(O[6]C[6]){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(O){1|C<3>,1|C<4>,1|O<2>}	118.6685	0.057	2	118.6685	0.003	2	118.6685	0.003	2	118.5986	0.218	8	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6,6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6,6](C[6,6,6a]C[6,6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(O){1|O<2>,2|C<3>}	118.5753	0.550	6	118.5753	0.303	6	118.5753	0.303	6	118.5986	0.218	8	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:2:	3:3:4:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	117.7200	0.000	1	117.7200	0.000	1	117.7200	0.000	1	117.7200	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:2:	3:4:2:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-4:O-2:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(OC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CH3){1|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(O[6]C[6]){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(OC){1|C<3>,1|O<1>,1|O<2>}	117.2785	0.330	4	117.2785	0.109	4	117.2785	0.109	4	117.2785	0.109	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H){1|Co<6>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	118.1015	0.583	2	118.1537	0.178	3	118.1537	0.178	3	118.0465	0.165	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]C)(C[6]C[6]H){2|Cu<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H){1|Cu<3>,2|C<3>}	118.2580	0.000	1	118.1537	0.178	3	118.1537	0.178	3	118.0465	0.165	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:N[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(N[6,6]B[6]C[6])(C[6]C[6]C){1|F<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.7250	0.000	1	117.7250	0.000	1	117.7250	0.000	1	118.0465	0.165	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH){1|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|H<1>,1|O<2>,5|C<3>}	117.9620	0.000	1	117.6633	0.080	3	117.6633	0.080	3	117.6633	0.080	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH)	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6a]O[6])(CCHH){1|C<4>,5|C<3>}	C[6,6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[6]2)(C[6]C[6]C){1|O<2>,1|S<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(O[6]C[6]){1|H<1>,1|S<2>,5|C<3>}	117.5140	0.164	2	117.6633	0.080	3	117.6633	0.080	3	117.6633	0.080	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3)	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6,6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|Ru<6>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]C)(CHH){1|H<1>,1|N<3>,3|C<3>}	120.8000	0.000	1	120.8000	0.000	1	120.8000	0.000	1	119.8338	1.219	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:Si-4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|B<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|B<4>,1|N<3>,3|C<3>,3|H<1>}	118.7730	0.000	1	119.5922	1.236	4	119.5922	1.236	4	119.8338	1.219	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:Si-4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Cl<1>,1|B<4>,1|N<3>,2|H<1>,3|C<3>}	118.5350	0.000	1	119.5922	1.236	4	119.5922	1.236	4	119.8338	1.219	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:Si-4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Cl<1>,1|Cu<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Cl<1>,1|Cu<4>,1|N<3>,2|H<1>,3|C<3>}	120.8120	0.000	1	119.5922	1.236	4	119.5922	1.236	4	119.8338	1.219	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:Si-4:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3)	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(SiC3){1|Ge<4>,1|Si<4>,1|H<1>,4|C<3>}	C[6,6](N[6,6]Ge[6]C[6])(C[6]C[6]Si)(C[6]C[6]H){1|Fe<5>,1|Ge<3>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]Si)(C[6a]C[6a]2)(N[6]Ge[6]Si){1|Fe<5>,1|Ge<3>,1|N<3>,2|H<1>,3|C<3>}	120.2490	0.000	1	119.5922	1.236	4	119.5922	1.236	4	119.8338	1.219	5	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH)	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CC[6]HH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6,6]C)(C[6]C[6]CO)(O){1|H<1>,1|O<2>,2|C<3>}	119.2440	0.559	4	119.2440	0.313	4	119.2440	0.313	4	119.2440	0.313	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O)	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]2N[6])(C[6]C[6,6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]2O){1|H<1>,1|N<3>,4|C<3>}	C[6,6](C[6,6]C[6]N[6])(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]2N[6])(C[6]C[6,6]C)(H){1|O<1>,6|C<3>}	118.2900	0.122	2	118.2900	0.015	2	118.2900	0.015	2	118.2900	0.015	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6,6](C[6,6]C[6]2)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,1|C<4>,1|N<3>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>}	119.2490	0.000	1	119.2490	0.000	1	119.3065	0.007	2	119.0190	0.251	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6,6](C[6,6]C[6]O[6])(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O){1|C<3>,2|C<4>}	119.3640	0.000	1	119.3640	0.000	1	119.3065	0.007	2	119.0190	0.251	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	3:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO)	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>,3|O<2>}	C[6,6](C[6,6]C[6]O[6])(C[6]O[6]HO)(C[6]C[6]C){1|B<4>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	118.4440	0.000	1	118.4440	0.000	1	118.4440	0.000	1	119.0190	0.251	3	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:2:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:O[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3)	C[6,6](C[6,6]C[6]N[6]Nd)(O[6]C[6,6])(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3){1|Nd<21>,1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6]Nd)(O[6]C[6,6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|Nd<21>,1|C<4>,2|O<2>}	114.6008	0.541	6	114.6008	0.293	6	115.0441	0.531	10	115.0441	0.531	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:2:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:O[6]-2:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3)	C[6,6](C[6,6]C[6]N[6]W)(O[6]C[6,6])(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3){1|W<14>,1|C<3>,1|N<3>,2|C<4>}	C[6,6](C[6,6]C[6]N[6]W)(O[6]C[6,6])(C[6]C[6]C){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|W<14>,1|C<4>,2|O<2>}	115.7090	0.352	4	115.7090	0.124	4	115.0441	0.531	10	115.0441	0.531	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:2:3:	4:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:O[6]-2:C[6]-3:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[3,6]O)(CH3)	C[6,6](C[6,6]C[3,6]O[6]O)(O[6]C[5,5,6])(C[6]C[6]C)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[3,6]O)(CH3){3|C<4>,3|O<2>}	C[6,6](C[6,6]C[3,6]O[6]O)(O[6]C[5,5,6])(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6,6]C)(O){1|C<4>,1|H<1>,1|O<2>}	119.3470	0.000	1	119.3470	0.000	1	119.3470	0.000	1	119.3470	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:2:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	116.7780	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:2:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O[6]-2:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(CCHH){2|C<3>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(O[6]C[6]){1|C<3>,1|H<1>,2|O<1>,4|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]CC)(O){1|C<4>,1|O<1>,1|O<2>}	119.2100	0.000	1	119.2100	0.000	1	119.2100	0.000	1	119.2100	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:2:4:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH)	C[6](C[6,6]C[6,6]C[6])(C[6]O[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,2|C<4>,2|O<2>,3|H<1>}	C[6](C[6]C[6,6]C)(O[6]C[6])(CCCH){1|C<3>,1|C<4>,2|H<1>}	120.3340	0.000	1	120.3340	0.000	1	120.3340	0.000	1	120.3340	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<2>,2|B<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	120.2890	0.000	1	120.2407	0.035	3	120.2355	0.023	4	119.7497	0.778	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]N[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	120.2165	0.258	2	120.2407	0.035	3	120.2355	0.023	4	119.7497	0.778	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[5,6,6]-4:C[6,6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]N[5,5a,6]C[5,6]C)(C[6,6a]C[6,6a]C[6a])(C[6]C[6]C){1|N<3>,2|B<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	120.2200	0.000	1	120.2200	0.000	1	120.2355	0.023	4	119.7497	0.778	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[5,6,6]-4:N[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH)	C[6,6](C[5,6,6]Si[5,6]C[5,6]C)(N[5,6]C[5,6]C[5])(C[6]C[6]C)	C[6](C[6]C[5,6]H)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[6,6](C[5,6,6]Si[5,6]C[5,6]C)(N[5,6]C[5,6]C[5])(C[6]C[6]C){1|Si<4>,1|N<3>,1|O<2>,2|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6,6]C)(H){1|Si<4>,1|C<4>,1|H<1>,1|N<3>}	118.0950	0.000	1	118.0950	0.000	1	118.0950	0.000	1	119.7497	0.778	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:B[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6,6a]C[6]C)(B[6]C[6,6a]C[6a])(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C[6,6](C[6,6]C[6,6a]C[6]C)(B[6]C[6,6a]C[6a])(C[6]C[6]C){2|H<1>,6|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|B<3>,1|C<4>,1|H<1>}	121.2860	0.000	1	121.2860	0.000	1	121.2860	0.000	1	119.7497	0.778	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	119.2935	0.132	4	119.2935	0.017	4	119.2935	0.017	4	119.7497	0.778	10	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:3:4:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	121.5860	0.000	1	121.5860	0.000	1	121.5860	0.000	1	121.5860	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6]HH){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	119.8290	0.000	1	119.8290	0.000	1	119.8690	0.130	4	119.8690	0.130	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CC[6a]HH){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,7|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	119.3800	0.000	1	119.3800	0.000	1	119.8690	0.130	4	119.8690	0.130	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<3>,1|C<4>,2|H<1>}	120.2000	0.000	1	120.2000	0.000	1	119.8690	0.130	4	119.8690	0.130	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(H){1|C<4>,1|H<1>,2|C<3>}	120.0670	0.000	1	120.0670	0.000	1	119.8690	0.130	4	119.8690	0.130	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6,6]H)(C[6]C[6]C){1|C<3>,1|N<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	120.6640	0.000	1	120.6640	0.000	1	120.5865	0.012	2	120.5865	0.012	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:4:3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<2>,3|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]2O)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(COO){1|C<3>,1|C<4>,2|H<1>}	120.5090	0.000	1	120.5090	0.000	1	120.5865	0.012	2	120.5865	0.012	2	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:3:3:	3:4:4:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH)	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C)	C[6](C[6]C[6,6]C)(C[6]P[6]HH)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CCHH){1|O<2>,1|P<4>,2|C<4>,3|H<1>}	C[6,6](C[6,6]C[6]P[6]H)(C[6]C[6]C)(C[6]O[6]C){1|B<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]P[6]HH)(CH3){1|C<4>,3|C<3>}	118.9900	0.000	1	118.9900	0.000	1	118.9900	0.000	1	118.9900	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	119.5056	0.261	5	119.5056	0.068	5	119.5056	0.068	5	119.5958	0.103	6	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:3:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH){2|H<1>,5|C<4>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]CH)(C[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	120.0470	0.000	1	120.0470	0.000	1	120.0470	0.000	1	119.5958	0.103	6	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:N-2:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NO){1|H<1>,2|C<4>}	119.2570	0.346	2	119.2570	0.120	2	119.3282	0.074	4	119.3282	0.074	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:N-2:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NC[6a]){1|H<1>,2|C<4>}	119.1980	0.000	1	119.1980	0.000	1	119.3282	0.074	4	119.3282	0.074	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:3:2:	C[6,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-3:N-2:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NN)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|N<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NN){1|H<1>,2|C<4>}	119.6010	0.000	1	119.6010	0.000	1	119.3282	0.074	4	119.3282	0.074	4	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:3:4:	C[6,6]-3:C[6]-3:P-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:B-4:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P)	C[6](C[6]C[6,6]P)(C[6]C[6]H)(BC[6a]2C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H){3|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]P){1|B<4>,1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]C[6,6]P)(C[6]C[6]H)(BC[6a]2C){1|C<3>,1|H<1>,2|C<4>}	120.7430	0.000	1	120.7430	0.000	1	120.7430	0.000	1	120.7430	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	120.3442	0.362	5	120.3442	0.131	5	120.3442	0.131	5	120.5874	0.319	12	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CCHH){3|C<4>,5|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,2|C<4>,6|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	120.1125	0.022	2	120.1125	0.000	2	120.7611	0.413	7	120.5874	0.319	12	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[5,6]C[6]C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	121.0970	0.000	1	121.0970	0.000	1	120.7611	0.413	7	120.5874	0.319	12	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	120.4280	0.000	1	121.1873	0.438	3	120.7611	0.413	7	120.5874	0.319	12	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){4|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	121.5670	0.103	2	121.1873	0.438	3	120.7611	0.413	7	120.5874	0.319	12	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:4:1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[6,6]C[6]2C)(C[6]C[6]HO)(C[6]C[6]C){1|O<1>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(O){2|C<4>,2|H<1>}	120.4440	0.000	1	120.4440	0.000	1	120.7611	0.413	7	120.5874	0.319	12	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	3:4:2:	C[6,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6,6]-4:C[6]-3:	C[6]-3:C[6]-4:N-2:	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN)	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C)	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CHHN){1|O<2>,3|H<1>,4|C<4>}	C[6,6](C[5,6]C[5,6]O[5]H)(C[6,6]C[6]2C)(C[6]C[6]C){1|C<3>,1|N<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]HH)(NO){2|C<4>,2|H<1>}	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:3:4:	4:4:3:	4:3:3:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]C)(CCC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,2|C<4>,4|H<1>}	C[6,6](C[6,6]C[6]N[6]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6,6]C)(CCC){2|C<3>,3|C<4>}	119.4780	0.000	1	119.4780	0.000	1	119.4780	0.000	1	119.4780	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	3:4:3:	3:3:3:	3:3:1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H)	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6])(C[6]C[5,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6,6](C[6,6]C[5,6]C[6])(C[6]C[6]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,5|C<3>}	106.2040	0.000	1	106.2040	0.000	1	106.2040	0.000	1	106.2040	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6,6]	C[6]	4:3:3:	4:3:4:	3:3:4:	P[5]-4:C[6,6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C[6]-4:	C[6]-3:C[6]-3:B-4:	C[6](P[5]C[5,6a]C[6a]C[5])(C[6,6]C[6,6]C[6])(C[6]C[6]B)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH)	C[6](C[6]C[6,6]P[5])(C[6]C[6]H)(BC[6a]2O)	C[6](P[5]C[5,6a]C[6a]C[5])(C[6,6]C[6,6]C[6])(C[6]C[6]B){4|C<4>,4|H<1>,5|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]P[5])(C[6]C[6]HH){1|B<4>,1|C<4>,5|C<3>,5|H<1>}	C[6](C[6]C[6,6]P[5])(C[6]C[6]H)(BC[6a]2O){1|H<1>,2|C<4>,4|C<3>}	122.7620	0.000	1	122.7620	0.000	1	122.7620	0.000	1	122.7620	0.000	1	121.0434	4.693	1392	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H){1|Fe<10>,1|Rh<4>,2|C<3>,2|C<4>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{1|Rh<4>,1|Rh<5>,2|C<3>,2|H<1>}	119.1620	0.164	2	119.6631	0.180	7	119.5747	0.272	23	119.6423	0.370	24	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|C<4>,3|C<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,2|C<3>,2|H<1>}	119.7880	0.000	1	119.6631	0.180	7	119.5747	0.272	23	119.6423	0.370	24	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|N<3>,1|S<2>,2|C<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,2|C<3>,2|H<1>}	119.7207	0.121	3	119.6631	0.180	7	119.5747	0.272	23	119.6423	0.370	24	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|S<3>,3|C<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,2|C<3>,2|H<1>}	120.3680	0.000	1	119.6631	0.180	7	119.5747	0.272	23	119.6423	0.370	24	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Pd<4>,2|C<3>,2|H<1>}	120.2230	0.000	1	119.5537	0.325	6	119.5747	0.272	23	119.6423	0.370	24	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|N<3>,3|C<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,2|C<3>,2|H<1>}	119.6380	0.214	4	119.5537	0.325	6	119.5747	0.272	23	119.6423	0.370	24	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|S<2>,3|C<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,2|C<3>,2|H<1>}	118.5470	0.000	1	119.5537	0.325	6	119.5747	0.272	23	119.6423	0.370	24	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Re<5>,1|N<3>,3|C<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Re<5>,2|C<3>,2|H<1>}	119.0460	0.000	1	119.4542	0.287	6	119.5747	0.272	23	119.6423	0.370	24	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Rh<5>,1|C<4>,3|C<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Rh<5>,2|C<3>,2|H<1>}	120.2900	0.000	1	119.4542	0.287	6	119.5747	0.272	23	119.6423	0.370	24	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|N<3>,3|C<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,2|C<3>,2|H<1>}	119.3473	0.418	4	119.4542	0.287	6	119.5747	0.272	23	119.6423	0.370	24	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6,6]H)(H)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6,6]H)(H){1|Ni<6>,1|N<3>,3|C<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ni<6>,2|C<3>,2|H<1>}	119.6320	0.752	4	119.6320	0.565	4	119.5747	0.272	23	119.6423	0.370	24	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2{2|H<1>,5|C<3>}	121.1980	0.000	1	121.1980	0.000	1	121.1980	0.000	1	119.6423	0.370	24	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H)	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6,6]H)(H){1|Fe<7>,1|C<3>,1|H<1>,4|C<4>}	C[6,6](C[3x6]C[3x6]C[6,6]C)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|C<4>}	121.3630	0.000	1	121.3630	0.000	1	121.3630	0.000	1	119.8328	1.267	11	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6,6a]2C)(C[6]C[6]H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6,6a]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6,6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6,6](C[5,6,6]C[5,6,6a]2C)(C[6]C[6]H)2{2|H<1>,4|C<3>}	121.1615	0.169	2	121.1615	0.029	2	121.1615	0.029	2	119.8328	1.267	11	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]Ti)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<12>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ti<12>,1|C<3>,1|C<4>,1|O<2>}	C[6,6](C[6,6]C[6]N[6]Ti)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|H<1>}	119.2044	0.915	5	119.1438	0.692	6	119.3094	0.653	8	119.8328	1.267	11	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6,6](C[6,6]C[6]N[6]Ti)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<8>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ti<8>,1|C<3>,1|C<4>,1|O<2>}	C[6,6](C[6,6]C[6]N[6]Ti)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|H<1>}	118.8410	0.000	1	119.1438	0.692	6	119.3094	0.653	8	119.8328	1.267	11	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6,6](C[6,6]N[6]2Ru)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|C<4>}	C[6,6](C[6,6]N[6]2Ru)(C[6]C[6]H)2{2|C<3>,2|H<1>}	120.2840	0.000	1	120.2840	0.000	1	119.3094	0.653	8	119.8328	1.267	11	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:1:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6,6](C[6,6]N[6]2Ru)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ru<7>,1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|C<4>}	C[6,6](C[6,6]N[6]2Ru)(C[6]C[6]H)2{2|C<3>,2|H<1>}	119.3280	0.000	1	119.3280	0.000	1	119.3094	0.653	8	119.8328	1.267	11	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:2:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|O<2>,2|C<3>,2|F<1>,2|H<1>}	122.7905	0.322	6	122.7905	0.104	6	122.5116	0.193	12	122.5116	0.193	12	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:2:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6])	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(H){1|B<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,2|H<1>,3|C<3>}	C[6,6](N[6,6]C[6,6a]B[6])(C[6]C[6]H)2{1|H<1>,1|O<2>,2|F<1>,3|C<3>}	122.2327	0.367	6	122.2327	0.134	6	122.5116	0.193	12	122.5116	0.193	12	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2){1|Ir<8>,1|H<1>,6|C<3>}	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2{1|Ir<8>,1|H<1>,4|C<3>}	122.3100	0.000	1	122.7890	0.702	4	122.7890	0.702	4	122.7111	1.217	12	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6,6]H)(C[6a]C[6a]2){1|Pd<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]N[5,6]N[6])(C[6]C[6]H)2{1|Pd<4>,1|H<1>,4|C<3>}	122.9487	0.948	3	122.7890	0.702	4	122.7890	0.702	4	122.7111	1.217	12	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2{1|Rh<6>,1|H<1>,4|C<3>}	122.8740	0.000	1	123.1965	0.208	2	123.1965	0.208	2	122.7111	1.217	12	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a,6]C[6a])(H){1|H<1>,3|C<3>,3|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6,6]H)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6,6](C[6,6]N[5a,6]N[6])(C[6]C[6]H)2{1|Ru<8>,1|H<1>,4|C<3>}	123.5190	0.000	1	123.1965	0.208	2	123.1965	0.208	2	122.7111	1.217	12	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]N[5]N[6])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,3|C<3>,3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6,6]H)(C[6a]C[6a]2){1|Ru<5>,2|H<1>,6|C<3>}	C[6,6](C[6,6]N[6]2)(C[6]C[6]H)2{2|Ru<5>,1|H<1>,3|C<3>}	121.2270	0.000	1	121.2270	0.000	1	121.2270	0.000	1	122.7111	1.217	12	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6,6](N[6,6]C[6,6]C[6])(C[6]C[6]H)2{2|H<1>,5|C<3>}	125.2450	0.000	1	125.2450	0.000	1	125.2450	0.000	1	122.7111	1.217	12	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H){1|B<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	122.0130	0.000	1	121.9110	0.013	3	121.9110	0.013	3	122.7111	1.217	12	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:N[6]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H){1|B<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6a]C[6a]2)(N[6]B[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.8600	0.098	2	121.9110	0.013	3	121.9110	0.013	3	122.7111	1.217	12	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H)	C[6](N[6]C[6a]B[6])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(H){1|B<4>,1|H<1>,5|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6,6]H)(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|F<1>,2|H<1>}	122.7790	0.000	1	122.7790	0.000	1	122.7790	0.000	1	122.7111	1.217	12	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:3:4:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6]H)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5a]C[6])(H){1|S<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6]H)(C[6]C[6]HH){1|C<4>,3|C<3>,3|H<1>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6,6]H)(C[6]C[6]H){2|C<3>,2|C<4>,4|H<1>}	124.9150	0.000	1	124.9150	0.000	1	124.9150	0.000	1	124.9150	0.000	1	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	3:4:4:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-4:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]HH)(CCCH){1|C<3>,1|C<4>,2|H<1>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{4|H<1>,5|C<4>}	124.0330	0.000	1	124.0330	0.000	1	124.0330	0.000	1	124.0330	0.000	1	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	4:3:1:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	123.1880	0.000	1	123.3990	0.285	4	123.1589	0.240	7	122.7157	0.585	11	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	4:3:1:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	123.4693	0.631	3	123.3990	0.285	4	123.1589	0.240	7	122.7157	0.585	11	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	4:3:1:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H)	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6,6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6,6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)2{1|O<1>,3|C<4>,4|H<1>}	122.8387	0.154	3	122.8387	0.024	3	123.1589	0.240	7	122.7157	0.585	11	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	4:3:1:	4:3:3:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6]H)(C[6]C[6,6]H)(H)	C[6,6](C[5,6,6]C[5,6]2Ca)(C[6]C[6]H)2	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|Ca<12>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[6]H)(C[6]C[6,6]H)(H){1|Ca<12>,1|H<1>,2|C<3>,3|C<4>}	C[6,6](C[5,6,6]C[5,6]2Ca)(C[6]C[6]H)2{1|C<3>,2|H<1>,3|C<4>}	121.9402	0.459	4	121.9402	0.210	4	121.9402	0.210	4	122.7157	0.585	11	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:1:	4:3:1:	4:4:3:	C[6,6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6,6]-4:C[6]-3:	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H)	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O)	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H)	C[6](C[6,6]C[6,6]2)(C[6]C[5,6,6]O)(H){1|C<3>,1|O<2>,6|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6,6]O[5])(C[6]C[6,6]H)(O){1|C<3>,1|H<1>,6|C<4>}	C[6,6](C[6,6]C[6,6]C[6]C)2(C[6]C[6]H){1|C<3>,1|O<1>,4|H<1>,5|C<4>}	125.0310	0.000	1	125.0310	0.000	1	125.0310	0.000	1	125.0310	0.000	1	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:2:	4:3:2:	3:4:3:	C[6,6]-3:C[6]-3:O-2:	C[4,4,6]-4:C[6]-3:O-2:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[4,4,6]O)(OC[6a])	C[6](C[4,4,6]O[5x4]2C[6])(C[6]C[6,6]O)(OC)	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[4,4,6]O)(OC[6a]){1|C<3>,1|H<1>,1|N<3>,2|C<4>,2|O<3>}	C[6](C[4,4,6]O[5x4]2C[6])(C[6]C[6,6]O)(OC){1|C<3>,1|C<4>,1|H<1>,2|C<6>}	C[6,6](C[6,6]C[6]2)(C[6]N[6]CH)(C[6]C[6]O){1|O<2>,3|C<4>,3|H<1>}	121.9520	0.000	1	121.9520	0.000	1	121.9520	0.000	1	121.9520	0.000	1	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:2:	4:3:3:	4:3:3:	C[6,6]-3:C[6]-3:C-2:	C[5,6]-4:C[6]-3:N-3:	C[6,6]-4:C[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(CN)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH)	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[5,6]N)(CN){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6,6]C)(NHH){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6,6](C[6,6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	124.0650	0.000	1	124.0650	0.000	1	124.0650	0.000	1	124.0650	0.000	1	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[5a,6])	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[5a,6]){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	C[6,6](N[6,6]B[5a,6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	120.0653	0.481	3	120.0653	0.231	3	119.9568	0.195	6	119.9568	0.195	6	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:3:	3:3:2:	3:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6,6a])	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,6|C<3>}	C[6](C[6]C[6,6]C[6a])(C[6a]C[6a]2)(O[6]B[6,6a]){1|N<3>,2|H<1>,2|O<2>,5|C<3>}	C[6,6](N[6,6]B[6,6a]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){2|H<1>,3|O<2>,4|C<3>}	119.8483	0.470	3	119.8483	0.220	3	119.9568	0.195	6	119.9568	0.195	6	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,2|F<1>,2|H<1>,7|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,4|C<3>}	121.2443	0.549	3	121.2322	0.202	4	121.2322	0.202	4	121.2322	0.202	4	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:3:	3:3:3:	3:3:3:	C[6,6]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:C[6a]-3:	N[6,6]-3:C[6]-3:C[6]-3:	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2)	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|B<4>,3|H<1>,7|C<3>}	C[6](C[6]C[6,6]C[6a])(N[6]C[6a]B[6])(C[6a]C[6a]2){1|N<3>,2|H<1>,9|C<3>}	C[6,6](N[6,6]B[6]C[6])(C[6]C[6a]C[6])(C[6]C[6]H){1|N<3>,2|H<1>,6|C<3>}	121.1960	0.000	1	121.2322	0.202	4	121.2322	0.202	4	121.2322	0.202	4	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:3:	4:3:4:	3:3:3:	C[6,6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Al)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N){1|C<3>,2|C<4>,4|H<1>}	117.1100	0.000	1	117.1365	0.001	2	116.3717	0.856	4	116.3717	0.856	4	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:3:	4:3:4:	3:3:3:	C[6,6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Al)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Al){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Al)(C[6]C[6]N){1|C<3>,3|C<4>,3|H<1>}	117.1630	0.000	1	117.1365	0.001	2	116.3717	0.856	4	116.3717	0.856	4	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6,6]	3:3:3:	4:3:4:	3:3:3:	C[6,6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C[6]-4:	C[6,6]-3:N[6]-3:C[6]-3:	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Mg)	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH)	C[6,6](C[6,6]C[6]2)(N[6]C[6]Mg)(C[6]C[6]N)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]2)(NC[6a]Mg){1|N<4>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]C[6]N)(C[6]C[6,6]N)(C[6]C[6]HH){1|C<4>,2|C<3>,2|N<3>,4|H<1>}	C[6,6](C[6,6]C[6]2)(N[6]C[6]Mg)(C[6]C[6]N){1|C<3>,2|C<4>,4|H<1>}	115.6070	0.475	2	115.6070	0.226	2	116.3717	0.856	4	116.3717	0.856	4	121.0368	3.912	89	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:2:3:	3:2:3:	3:3:1:	C[6]-3:N[6]-2:C[6]-3:	C[6]-3:N[6]-2:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a])(C[6]N[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6a]C)(H){1|N<2>,3|C<3>}	119.0590	0.147	4	119.0590	0.022	4	119.0590	0.022	4	119.0590	0.022	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:3:	2:3:3:	C[6]-3:C[6]-3:H-1:	O[6]-2:C[6a]-3:C[6]-3:	O[6]-2:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]O[6])2(H)	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]O[6])2(H){1|Si<6>,4|C<3>}	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|S<2>,2|H<1>,2|O<2>,4|C<3>}	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|S<2>,2|H<1>,2|O<2>,4|C<3>}	120.5380	0.000	1	120.5380	0.000	1	120.5380	0.000	1	120.5380	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:3:	2:3:4:	C[6]-3:C[6]-3:H-1:	O[6]-2:C[6a]-3:C[6]-3:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[6a]O[6])(C[6]O[6]C)(H)	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]O[6])(C[6]O[6]C)(H){1|Si<6>,2|C<3>}	C[6](O[6]Si[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|S<2>,2|H<1>,2|O<2>,3|C<3>}	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|N<3>,1|S<2>,2|C<3>,2|O<2>}	121.1850	0.000	1	121.1850	0.000	1	121.1850	0.000	1	121.1850	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	O[6]-2:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]O[6])(C[6]C[6,6a]H)(H)	C[6](O[6]C[6,6a])(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]O[6])(C[6]C[6,6a]H)(H){4|C<3>}	C[6](O[6]C[6,6a])(C[5]C[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	121.1410	0.000	1	121.1410	0.000	1	121.1410	0.000	1	119.9156	0.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	S-2:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](SB[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](SB[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.9930	0.000	1	119.9930	0.000	1	119.8527	0.026	3	119.9156	0.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	S-2:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](SC[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](SC[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.7825	0.148	2	119.7825	0.022	2	119.8527	0.026	3	119.9156	0.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	S-2:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](SC[3x3,4,3x5,14x6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](SC[3x3,4,3x5,14x6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.1120	0.000	1	120.1120	0.000	1	119.5700	0.224	3	119.9156	0.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	S-2:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](SC[3x3,4,3x5,14x6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](SC[3x3,4,3x5,14x6])(N[6]C[6]Rh)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.2380	0.000	1	119.2380	0.000	1	119.5700	0.224	3	119.9156	0.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	S-2:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](SC[5x3,5x5,20x6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](SC[5x3,5x5,20x6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.3600	0.000	1	119.3600	0.000	1	119.5700	0.224	3	119.9156	0.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	O[6]-2:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-3:	C[6](C[6]C[5]O[6])(C[6]C[6,6]C)(H)	C[6](O[6]C[5,6,6])(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[6]C[5]O[6])(C[6]C[6,6]C)(H){1|C<4>,3|C<3>}	C[6](O[6]C[5,6,6])(C[5]C[5]2)(C[6]C[6]H){1|C<2>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(CCO){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	118.8510	0.000	1	118.8510	0.000	1	118.8510	0.000	1	118.8510	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	O[6]-2:C[6a]-3:C[6]-3:	N[5,6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]O[6])(C[6]N[5,6]C)(H)	C[6](O[6]Ga[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]O[6])(C[6]N[5,6]C)(H){1|Ga<5>,1|C<4>,2|C<3>}	C[6](O[6]Ga[5,6,6])(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|C<3>,2|C<4>,2|H<1>,2|N<3>}	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	125.0285	0.012	2	125.0285	0.000	2	125.0285	0.000	2	125.0285	0.000	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:C-4:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3)	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H){1|Nb<6>}	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3){1|C<4>,1|N<2>,4|N<3>}	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3){1|C<4>,1|N<2>,4|N<3>}	122.9590	0.000	1	122.9590	0.000	1	122.9590	0.000	1	124.1161	9.203	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]O[6]C)2(H)	C[6](O[6]B[6,6])(C[6]C[6]H)(CH3)	C[6](O[6]B[6,6])(C[6]C[6]H)(CH3)	C[6](C[6]O[6]C)2(H){1|B<4>}	C[6](O[6]B[6,6])(C[6]C[6]H)(CH3){1|O<2>,3|C<4>}	C[6](O[6]B[6,6])(C[6]C[6]H)(CH3){1|O<2>,3|C<4>}	117.9730	0.464	2	117.9730	0.215	2	124.2052	9.850	13	124.1161	9.203	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]O[6]C)2(H)	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	C[6](C[6]O[6]C)2(H){1|Ga<6>}	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|C<4>,5|O<2>}	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|C<4>,5|O<2>}	125.9941	0.715	8	125.9941	0.511	8	124.2052	9.850	13	124.1161	9.203	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]O[6]C)2(H)	C[6](O[6]Nb[6x3,6,6])(C[6]C[6]H)(CH3)	C[6](O[6]Nb[6x3,6,6])(C[6]C[6]H)(CH3)	C[6](C[6]O[6]C)2(H){1|Nb<9>}	C[6](O[6]Nb[6x3,6,6])(C[6]C[6]H)(CH3){1|Nb<9>,1|C<4>,3|O<2>,4|S<3>}	C[6](O[6]Nb[6x3,6,6])(C[6]C[6]H)(CH3){1|Nb<9>,1|C<4>,3|O<2>,4|S<3>}	124.8285	0.879	2	124.8285	0.773	2	124.2052	9.850	13	124.1161	9.203	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	2:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]O[6]C)2(H)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	C[6](C[6]O[6]C)2(H){1|Si<6>}	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|O<2>}	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|O<2>}	121.1110	0.000	1	121.1110	0.000	1	124.2052	9.850	13	124.1161	9.203	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<3>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<3>,1|C<2>,1|H<1>}	120.4400	0.000	1	119.7767	0.332	3	119.2853	1.187	4	118.2387	2.859	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|H<1>,1|P<4>}	119.4020	0.000	1	119.7767	0.332	3	119.2853	1.187	4	118.2387	2.859	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Se<3>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Se<3>,1|C<2>,1|H<1>}	119.4880	0.000	1	119.7767	0.332	3	119.2853	1.187	4	118.2387	2.859	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Cu<5>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Cu<5>,1|C<2>,1|H<1>}	117.8110	0.000	1	117.8110	0.000	1	119.2853	1.187	4	118.2387	2.859	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|C<2>}	118.7470	0.000	1	117.1605	5.034	2	117.1605	5.034	2	118.2387	2.859	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|H<1>,1|N<3>}	115.5740	0.000	1	117.1605	5.034	2	117.1605	5.034	2	118.2387	2.859	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-2:O-1:	C[6](C[6]N[6]Cl)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(H){1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6])(O){1|Cl<1>,1|N<2>,1|N<3>}	116.0720	0.000	1	116.0720	0.000	1	116.0720	0.000	1	118.2387	2.859	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<2>}	118.3760	0.000	1	118.3760	0.000	1	118.3760	0.000	1	118.2387	2.859	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|N<2>,2|H<1>}	114.3870	0.000	1	114.3870	0.000	1	114.3870	0.000	1	121.9584	7.439	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:O-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(N[6]S[6])(O)	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C[6](C[6]N[6]O)(C[6]O[6]C)(H){1|S<4>}	C[6](C[6]C[6]H)(N[6]S[6])(O){1|C<4>,1|O<2>,2|O<1>}	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<2>,3|O<1>}	122.7997	0.638	9	122.7997	0.407	9	122.7997	0.407	9	121.9584	7.439	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(Br)	C[6](C[6]C[6]Br)(N[6]C[6])(O)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(Br){1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	121.3490	0.000	1	121.3490	0.000	1	121.3490	0.000	1	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,2|C<2>}	119.1260	0.000	1	119.1260	0.000	1	119.1260	0.000	1	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6])(Cl)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6])(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)2(H){1|Cl<1>,1|N<2>,1|O<1>}	116.9720	0.430	2	116.9720	0.185	2	116.9720	0.185	2	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6])(O)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(Cl){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6])(O){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(H){1|Cl<1>,1|N<2>,1|O<1>}	120.8900	0.061	2	120.8900	0.004	2	120.8900	0.004	2	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<2>,2|F<1>}	119.9253	1.042	14	119.9253	1.086	14	119.9253	1.086	14	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(F){1|C<3>,1|C<4>}	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(H){1|C<2>,2|F<1>}	123.9260	0.000	1	123.9260	0.000	1	123.9260	0.000	1	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(F)	C[6](C[6]C[6]F)(N[6]C[6])(O)	C[6](C[6]C[6]F)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(F){1|C<3>,1|C<4>}	C[6](C[6]C[6]F)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]F)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	121.7495	0.237	2	121.7495	0.056	2	121.7495	0.056	2	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<2>,1|N<3>}	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,2|F<1>}	117.3367	1.148	4	117.3367	1.318	4	117.3367	1.318	4	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Br){1|C<2>,2|H<1>}	119.1560	1.995	2	119.1560	3.982	2	119.1560	3.982	2	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>}	118.4578	6.258	4	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<3>,1|C<2>,1|H<1>}	120.4220	0.000	1	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<4>,1|C<2>,1|H<1>}	120.4570	0.398	3	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<2>,1|H<1>}	119.0110	0.000	1	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<2>}	119.9350	0.000	1	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	120.0248	1.427	13	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<2>}	118.3200	0.000	1	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	119.5520	0.171	3	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|O<2>}	119.4010	0.000	1	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<3>}	120.8300	0.000	1	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.0630	0.686	26	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|S<3>}	120.0140	0.000	1	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|S<4>}	120.9610	0.000	1	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,2|H<1>}	120.2777	2.552	54	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Ge<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ge<4>,1|C<2>,1|H<1>}	120.5460	0.000	1	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	119.6508	0.735	14	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Sn<5>,1|C<2>,1|H<1>}	119.9920	0.000	1	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|P<4>,2|H<1>}	119.9814	0.144	5	120.0399	4.038	132	120.0399	4.038	132	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>}	119.1920	0.000	1	119.1920	0.000	1	119.1920	0.000	1	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|N<2>}	116.7129	0.433	12	116.7129	0.188	12	116.7129	0.188	12	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|Ca<11>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|Ca<11>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	116.4520	0.000	1	116.4520	0.000	1	117.1175	0.721	13	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Ce)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|Ce<17>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|Ce<17>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Ce)(C[6]C[6]H)(H){1|N<2>,2|H<1>}	117.0200	0.000	1	117.0200	0.000	1	117.1175	0.721	13	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|Cu<6>,1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|N<2>}	117.4360	0.000	1	117.4360	0.000	1	117.1175	0.721	13	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|Mn<7>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|Mn<7>,1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<2>}	117.4040	0.000	1	117.4040	0.000	1	117.1175	0.721	13	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|Ru<8>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|Ru<8>,1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<2>}	117.4873	0.614	7	117.4873	0.377	7	117.1175	0.721	13	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|Zn<4>,1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|N<2>}	115.9025	1.357	2	115.9025	1.841	2	117.1175	0.721	13	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|O<1>}	119.4000	0.000	1	119.4000	0.000	1	119.4000	0.000	1	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	119.8675	0.197	2	119.8675	0.039	2	119.8675	0.039	2	119.5635	4.414	191	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)(C[6]C[6])(F)	C[6](C[6]C[6]F)2(CC)	C[6](C[6]C[6]C)(C[6]C[6]F)(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6])(F){1|C<2>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(CC){1|C<2>,2|F<1>}	121.0790	2.188	2	121.0790	4.786	2	121.0790	4.786	2	120.0730	1.328	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Pd)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Pd<4>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]Pd)(C[6]C[6]H)(NN){1|C<2>,2|H<1>}	119.2660	0.000	1	119.2660	0.000	1	119.2660	0.000	1	120.0730	1.328	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<2>,2|H<1>}	120.4135	0.694	2	120.4135	0.481	2	120.0090	1.003	6	120.0730	1.328	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<2>,2|H<1>}	121.5470	0.000	1	121.5470	0.000	1	120.0090	1.003	6	120.0730	1.328	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|C<2>,2|H<1>}	119.2390	0.000	1	119.2390	0.000	1	120.0090	1.003	6	120.0730	1.328	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<2>,2|H<1>}	119.2205	0.081	2	119.2205	0.007	2	120.0090	1.003	6	120.0730	1.328	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu){1|C<2>,2|H<1>}	121.4110	0.000	1	121.4110	0.000	1	121.4110	0.000	1	120.0730	1.328	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN){1|C<2>,2|H<1>}	119.2710	0.000	1	119.2710	0.000	1	119.2710	0.000	1	120.0730	1.328	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|C<3>}	C[6](C[6]C[6]H)2(CC){1|H<1>,1|N<2>}	119.5940	0.000	1	119.5940	0.000	1	119.5940	0.000	1	120.0730	1.328	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|S<2>}	C[6](C[6]C[6]H)2(SC){1|H<1>,1|N<2>}	119.1950	0.000	1	119.1950	0.000	1	119.1950	0.000	1	120.0730	1.328	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|C<2>,2|H<1>}	121.3871	1.422	8	121.3871	2.021	8	120.8105	1.739	14	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCN){1|C<2>,2|H<1>}	119.7430	0.337	2	119.7430	0.113	2	120.8105	1.739	14	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[6]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6]O){1|C<2>,2|H<1>}	120.6520	0.242	2	120.6520	0.058	2	120.8105	1.739	14	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]N){1|C<2>,2|H<1>}	119.7300	0.981	2	119.7300	0.963	2	120.8105	1.739	14	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCuC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NCuC){1|C<2>,2|H<1>}	121.7820	0.000	1	121.7820	0.000	1	119.1584	18.225	18	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<2>,2|H<1>}	119.6510	0.000	1	119.6510	0.000	1	119.1584	18.225	18	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NPdN)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NPdN){1|C<2>,2|H<1>}	118.9010	0.000	1	118.9010	0.000	1	119.1584	18.225	18	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NMoC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NMoC){1|C<2>,2|H<1>}	120.8230	0.000	1	120.8230	0.000	1	119.1584	18.225	18	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC){1|C<2>,2|H<1>}	121.9870	0.000	1	121.9870	0.000	1	119.1584	18.225	18	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<2>,2|H<1>}	117.7037	6.215	8	117.7037	38.626	8	119.1584	18.225	18	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|C<2>,2|H<1>}	119.6230	0.276	2	119.7083	0.060	3	119.1584	18.225	18	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)2(NCH){1|C<2>,1|H<1>,1|N<3>}	119.8790	0.000	1	119.7083	0.060	3	119.1584	18.225	18	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|C<2>,2|H<1>}	120.4765	0.226	2	120.4765	0.051	2	119.1584	18.225	18	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:P-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6]C)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2(PC[6]C){1|C<2>,2|H<1>}	120.6270	0.209	2	120.6270	0.044	2	120.6270	0.044	2	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|N<2>,2|H<1>}	117.1230	0.000	1	117.1230	0.000	1	117.0270	0.104	5	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|N<2>,2|H<1>}	117.1785	0.390	2	117.1785	0.152	2	117.0270	0.104	5	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(COO)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Li<5>,1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(COO){1|N<2>,2|H<1>}	116.8275	0.357	2	116.8275	0.128	2	117.0270	0.104	5	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|N<2>,2|O<1>}	122.3600	0.000	1	122.3600	0.000	1	122.3600	0.000	1	119.6237	10.249	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(CHHO){1|C<2>,2|H<1>}	121.8990	0.000	1	121.8990	0.000	1	120.8398	1.373	33	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|C<2>,2|H<1>}	120.0040	0.000	1	120.0040	0.000	1	120.8398	1.373	33	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|C<2>,2|H<1>}	121.1125	0.812	2	121.1125	0.660	2	120.8398	1.373	33	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHO){1|C<2>,2|H<1>}	120.7623	1.093	6	120.7623	1.195	6	120.8398	1.373	33	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[3]CP)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[3]CP){1|C<2>,2|H<1>}	120.1570	0.281	2	120.1570	0.079	2	120.8398	1.373	33	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[6]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6]CH){1|C<2>,2|H<1>}	120.1425	0.599	2	120.1425	0.359	2	120.8398	1.373	33	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[6]CO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6]CO){1|C<2>,2|H<1>}	121.7015	1.351	2	121.7015	1.826	2	120.8398	1.373	33	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<2>,2|H<1>}	121.1368	2.574	5	121.1368	6.626	5	120.8398	1.373	33	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHN){1|C<2>,2|H<1>}	120.3150	0.460	2	120.3150	0.211	2	120.8398	1.373	33	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|C<2>,2|H<1>}	120.4458	0.399	4	120.4458	0.159	4	120.8398	1.373	33	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CN[5a]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5a]HH){1|C<2>,2|H<1>}	121.2185	0.263	4	121.2185	0.069	4	120.8398	1.373	33	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CNiHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CNiHH){1|C<2>,2|H<1>}	121.0190	0.014	2	121.0190	0.000	2	120.8398	1.373	33	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|N<4>,1|O<2>}	C[6](C[6]C[6]H)2(NH3){1|C<2>,1|H<1>,1|O<2>}	118.7930	0.000	1	118.7930	0.000	1	118.7930	0.000	1	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6a]NO)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6a]NO){1|C<2>,2|H<1>}	120.4005	0.916	4	120.4005	0.838	4	120.4005	0.838	4	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(SC[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(SC[5]OO){1|C<2>,2|H<1>}	119.0295	0.095	2	119.0295	0.009	2	119.0295	0.009	2	120.6542	1.451	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:5:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-5:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CDy2OO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(CDy2OO){1|C<2>,2|H<1>}	119.0210	0.000	1	119.0210	0.000	1	119.2620	0.116	2	119.2620	0.116	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:3:5:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-5:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CRu2NN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(CRu2NN){1|C<2>,2|H<1>}	119.5030	0.000	1	119.5030	0.000	1	119.2620	0.116	2	119.2620	0.116	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	3:4:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6]-3:P-4:C[6]-2:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(PC[6]ReO)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(PC[6]ReO)(C[6]C[6]){1|C<2>,2|H<1>}	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	120.0820	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>}	121.4960	0.892	2	121.4960	0.796	2	121.4960	0.796	2	121.4960	0.796	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	Si-4:C[6]-3:C[6]-2:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](SiC[6a]2C)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Si<4>,1|C<2>,1|H<1>}	C[6](SiC[6a]2C)(C[6]C[6]H)(C[6]C[6]){1|C<2>,2|H<1>}	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	121.5900	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	As-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](AsC[6]2Pd)(C[6]C[6]H)2	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|As<4>,1|C<3>,1|H<1>}	C[6](AsC[6]2Pd)(C[6]C[6]H)2{1|C<2>,2|H<1>}	120.4180	0.643	2	120.4180	0.414	2	120.4180	0.414	2	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[5]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[5]C[6]O)(C[6]C[6]H)2{1|C<2>,2|H<1>}	119.3173	0.770	4	119.3173	0.593	4	120.1662	0.393	25	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[5]C[6]Pd)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[5]C[6]Pd)(C[6]C[6]H)2{1|C<2>,2|H<1>}	120.5635	0.152	2	120.5635	0.023	2	120.1662	0.393	25	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[6a]2Mo)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]2Mo)(C[6]C[6]H)2{1|C<2>,2|H<1>}	120.4010	0.199	2	120.4010	0.040	2	120.1662	0.393	25	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[6a]2Re)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]2Re)(C[6]C[6]H)2{1|C<2>,2|H<1>}	120.2910	0.528	2	120.2910	0.278	2	120.1662	0.393	25	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[6a]2Rh)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]2Rh)(C[6]C[6]H)2{1|C<2>,2|H<1>}	120.3595	0.098	2	120.3595	0.010	2	120.1662	0.393	25	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[6a]2Ru)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>}	C[6](PC[6a]2Ru)(C[6]C[6]H)2{1|C<2>,1|H<1>}	119.9910	0.000	1	119.9910	0.000	1	120.1662	0.393	25	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[6a]AgC)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]AgC)(C[6]C[6]H)2{1|C<2>,2|H<1>}	120.6550	0.421	2	120.6550	0.178	2	120.1662	0.393	25	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[6a]C[6]C)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]C[6]C)(C[6]C[6]H)2{1|C<2>,2|H<1>}	120.1060	0.587	2	120.1060	0.344	2	120.1662	0.393	25	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)2{1|C<2>,2|H<1>}	120.2440	0.228	2	120.2440	0.052	2	120.1662	0.393	25	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[6a]C[6]Re)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]C[6]Re)(C[6]C[6]H)2{1|C<2>,2|H<1>}	119.6980	1.198	2	119.6980	1.435	2	120.1662	0.393	25	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[6a]MoC)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]MoC)(C[6]C[6]H)2{1|C<2>,2|H<1>}	120.5215	0.474	2	120.5215	0.225	2	120.1662	0.393	25	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](PC[6a]RhC)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	C[6](PC[6a]RhC)(C[6]C[6]H)2{1|C<2>,2|H<1>}	120.6075	0.231	2	120.6075	0.053	2	120.1662	0.393	25	120.1848	0.384	27	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[6]-2:S-2:	C[6]-3:S[6]-2:S-2:	C[6](C[6]S[6]S)2(H)	C[6](C[6]C[6]H)(S[6]C[6])(SCr)	C[6](C[6]C[6]H)(S[6]C[6])(SC)	C[6](C[6]S[6]S)2(H){1|C<4>}	C[6](C[6]C[6]H)(S[6]C[6])(SCr){1|C<3>,1|O<2>,2|S<2>}	C[6](C[6]C[6]H)(S[6]C[6])(SC){1|C<3>,1|O<2>,2|S<2>}	126.9670	0.000	1	126.9670	0.000	1	126.9670	0.000	1	123.4830	24.277	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(OC){2|C<2>}	119.9990	0.000	1	119.9990	0.000	1	119.9990	0.000	1	123.4830	24.277	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:O-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(N[6]S[6])(ONi)	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C[6](C[6]N[6]O)(C[6]O[6]C)(H){1|S<4>}	C[6](C[6]C[6]H)(N[6]S[6])(ONi){1|C<4>,1|O<2>,2|O<1>}	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<2>,1|O<2>,2|O<1>}	122.9690	0.000	1	122.9690	0.000	1	122.9690	0.000	1	122.9690	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<2>}	120.0830	0.000	1	120.0830	0.000	1	120.0830	0.000	1	118.2913	2.176	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<2>}	119.7670	0.000	1	119.7670	0.000	1	119.7670	0.000	1	118.2913	2.176	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(OP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|O<2>}	118.6090	0.000	1	118.6090	0.000	1	118.6500	0.003	2	118.2913	2.176	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6])(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6])(OC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<2>,1|O<2>}	118.6910	0.000	1	118.6910	0.000	1	118.6500	0.003	2	118.2913	2.176	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|N<2>}	117.8640	0.000	1	117.8640	0.000	1	117.8640	0.000	1	118.2913	2.176	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]H)(O[6]C[6])(OC)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|B<4>,1|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<4>,2|O<2>}	117.1820	0.000	1	117.1820	0.000	1	116.5125	0.896	2	118.2913	2.176	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]H)(O[6]C[6])(OC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(H){2|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(OC){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<6>,2|O<2>}	115.8430	0.000	1	115.8430	0.000	1	116.5125	0.896	2	118.2913	2.176	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)2(NH3)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(NH3){1|C<2>,1|H<1>,1|O<2>}	118.4500	0.000	1	118.4500	0.000	1	118.4500	0.000	1	118.4500	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(COO)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(COO){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,2|C<3>}	118.3120	0.000	1	118.3120	0.000	1	118.3120	0.000	1	118.3120	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:O[6]-2:C[6]-3:	C[5a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	119.9766	0.482	7	120.0505	0.382	11	120.0505	0.382	11	120.8243	5.520	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:O[6]-2:C[6]-3:	C[5a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H)	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	C[6](C[5a]C[5a]N[5a])(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	120.1800	0.879	4	120.0505	0.382	11	120.0505	0.382	11	120.8243	5.520	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6]-3:O[6]-2:C-3:	C[6](C[6]O[6]C)2(H)	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	C[6](C[6]O[6]C)2(H){1|B<4>}	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	120.5765	0.021	2	120.5765	0.000	2	120.5765	0.000	2	120.8243	5.520	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6a]O[6])2(H)	C[6](C[6a]C[6a]2)(O[6]B[5a,6])(C[6]C[6]H)	C[6](C[6a]C[6a]2)(O[6]B[5a,6])(C[6]C[6]H)	C[6](C[6]C[6a]O[6])2(H){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	C[6](C[6a]C[6a]2)(O[6]B[5a,6])(C[6]C[6]H){2|H<1>,3|C<3>,3|O<2>}	120.1100	0.000	1	120.1100	0.000	1	123.8084	7.979	5	120.8243	5.520	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6a]O[6])2(H)	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H)	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H)	C[6](C[6]C[6a]O[6])2(H){1|Ga<6>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H){1|H<1>,3|C<3>,6|O<2>}	C[6](C[6a]C[6a]2)(O[6]Ga[3x6])(C[6]C[6]H){2|H<1>,3|C<3>,5|O<2>}	123.6677	0.775	3	123.6677	0.601	3	123.8084	7.979	5	120.8243	5.520	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6a]O[6])2(H)	C[6](C[6a]C[6a]2)(O[6]In[4x6])(C[6]C[6]H)	C[6](C[6a]C[6a]2)(O[6]In[4x6])(C[6]C[6]H)	C[6](C[6]C[6a]O[6])2(H){1|In<6>,4|C<3>}	C[6](C[6a]C[6a]2)(O[6]In[4x6])(C[6]C[6]H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>,3|N<3>}	C[6](C[6a]C[6a]2)(O[6]In[4x6])(C[6]C[6]H){1|Cl<1>,1|O<2>,2|H<1>,3|C<3>,3|N<3>}	127.9290	0.000	1	127.9290	0.000	1	123.8084	7.979	5	120.8243	5.520	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O[6]-2:C-3:	C[6]-3:O[6]-2:C-3:	C[6](C[6]O[6]C)2(O)	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H)	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H)	C[6](C[6]O[6]C)2(O){1|C<4>}	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O)(O[6]C[6])(CC[6a]H){1|C<3>,1|O<2>,2|C<4>}	117.8670	0.651	2	117.8670	0.423	2	117.8670	0.423	2	120.8243	5.520	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>}	119.3120	0.000	1	120.0690	1.263	5	120.4053	1.147	12	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	120.2583	1.202	4	120.0690	1.263	5	120.4053	1.147	12	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	120.2060	0.000	1	120.2060	0.000	1	120.4053	1.147	12	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	121.1830	0.000	1	121.1830	0.000	1	120.4053	1.147	12	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	122.7270	0.000	1	122.7270	0.000	1	120.4053	1.147	12	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>}	120.7030	0.000	1	120.7030	0.000	1	120.4053	1.147	12	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	119.8997	0.236	3	119.8997	0.056	3	120.4053	1.147	12	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	119.4410	0.000	1	119.4410	0.000	1	120.5383	1.084	3	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NC[6]Cu)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(NC[6]Cu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	120.6620	0.000	1	120.6620	0.000	1	120.5383	1.084	3	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NPdC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(NPdC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	121.5120	0.000	1	121.5120	0.000	1	120.5383	1.084	3	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(SCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|S<3>}	118.8230	0.000	1	118.8230	0.000	1	118.8230	0.000	1	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|C<3>}	119.9960	0.105	2	119.9960	0.011	2	118.7498	0.735	9	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|C<3>}	119.0210	0.233	2	119.0210	0.054	2	118.7498	0.735	9	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(N[6]N[6])(CNN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|N<2>}	117.9813	0.283	3	117.9813	0.080	3	118.7498	0.735	9	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(N[6]N[6])(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|N<2>}	118.3850	0.600	2	118.3850	0.360	2	118.7498	0.735	9	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(COO)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)2(O){1|N<2>,2|C<3>}	120.2660	0.174	2	120.2660	0.030	2	120.2660	0.030	2	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CCH)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Ti<10>,1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	118.3265	0.356	2	118.3265	0.127	2	117.7000	0.571	4	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(COO)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	117.0735	0.131	2	117.0735	0.017	2	117.7000	0.571	4	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|N<3>}	117.1110	0.030	2	117.1110	0.001	2	117.2781	0.175	12	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>}	117.1230	0.642	3	117.3115	0.207	10	117.2781	0.175	12	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,2|N<3>}	117.3923	0.384	7	117.3115	0.207	10	117.2781	0.175	12	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]O[6])(C[6]N[6,6]O)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]O[6])(C[6]N[6,6]O)(H){2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(O[6]C[6,6])(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	120.6455	0.326	2	120.6455	0.106	2	120.6455	0.106	2	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:N[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(O)	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]O)(O){4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6a])(C[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|N<2>,3|C<3>}	117.4240	0.000	1	117.4240	0.000	1	117.4240	0.000	1	118.9442	2.425	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|H<1>,1|O<2>,3|C<3>}	121.0270	0.000	1	121.0270	0.000	1	121.7490	1.043	2	121.7490	1.043	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(ONi)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(ONi){2|O<2>,3|C<3>}	122.4710	0.000	1	122.4710	0.000	1	121.7490	1.043	2	121.7490	1.043	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<2>,1|C<3>,1|N<3>}	118.8050	0.000	1	118.8050	0.000	1	118.8050	0.000	1	120.7848	1.254	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCH)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|C<2>,1|H<1>,1|N<3>}	118.9880	0.000	1	118.9880	0.000	1	118.9880	0.000	1	120.7848	1.254	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CCH){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>,1|O<2>}	121.3280	0.000	1	121.3243	0.141	7	121.3243	0.141	7	120.7848	1.254	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCH)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CCH){3|C<3>}	C[6](C[6]C[6]H)2(CCC){1|O<2>,2|C<3>}	121.3237	0.411	6	121.3243	0.141	7	121.3243	0.141	7	120.7848	1.254	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:O[6]-2:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H){4|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	121.7573	0.136	3	121.7573	0.019	3	121.7573	0.019	3	121.7573	0.019	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]C){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	118.7620	0.000	1	118.7620	0.000	1	118.7620	0.000	1	120.9921	0.996	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-2:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H){1|Ru<10>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(N[6]C[5,6])(C[6]C[6]H){1|Ru<10>,1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	121.3638	0.185	6	121.3638	0.034	6	121.3638	0.034	6	120.9921	0.996	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CCHH)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]O[6]C)(C[6]O[6]O)(H){1|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(CCHH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|O<2>,3|C<4>}	120.0623	0.942	3	120.0623	0.888	3	120.2245	0.697	4	120.2245	0.697	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]HH)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]O[6]C)(C[6]O[6]O)(H){1|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(CC[5]HH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|O<2>,3|C<4>}	120.7110	0.000	1	120.7110	0.000	1	120.2245	0.697	4	120.2245	0.697	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:N[6]-2:O-2:	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C[6](C[6]C[6]H)(N[6]S[6])(OH)	C[6](C[6]N[6]O)(C[6]O[6]C)(H){1|S<4>}	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<2>,1|O<2>,2|O<1>}	C[6](C[6]C[6]H)(N[6]S[6])(OH){1|C<4>,1|O<2>,2|O<1>}	121.4200	0.000	1	121.4200	0.000	1	121.4200	0.000	1	121.4200	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-2:C-3:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CHH)	C[6](C[6]N[6]C)2(H){1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CHH){1|C<4>,1|N<2>,1|N<3>}	118.6470	0.000	1	118.6470	0.000	1	118.6470	0.000	1	118.6470	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:C-4:	C[6](C[6]O[6]C)2(H)	C[6](C[6]C[6]H)(O[6]In[6])(CH3)	C[6](C[6]C[6]H)(O[6]In[6])(CH3)	C[6](C[6]O[6]C)2(H){1|In<4>}	C[6](C[6]C[6]H)(O[6]In[6])(CH3){1|O<2>,3|C<4>}	C[6](C[6]C[6]H)(O[6]In[6])(CH3){1|O<2>,3|C<4>}	128.7300	0.000	1	128.7300	0.000	1	125.4993	7.845	3	125.4993	7.845	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:C-4:	C[6](C[6]O[6]C)2(H)	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3)	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3)	C[6](C[6]O[6]C)2(H){1|Nb<6>}	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3){1|Cl<1>,1|C<4>,4|O<2>}	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3){1|Cl<1>,1|C<4>,4|O<2>}	123.7540	0.000	1	123.8840	0.034	2	125.4993	7.845	3	125.4993	7.845	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:C-4:	C[6](C[6]O[6]C)2(H)	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3)	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3)	C[6](C[6]O[6]C)2(H){1|Nb<6>}	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3){2|Cl<1>,1|C<4>,3|O<2>}	C[6](C[6]C[6]H)(O[6]Nb[6])(CH3){2|Cl<1>,1|C<4>,3|O<2>}	124.0140	0.000	1	123.8840	0.034	2	125.4993	7.845	3	125.4993	7.845	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<2>,1|H<1>}	124.2720	0.000	1	124.2720	0.000	1	124.2720	0.000	1	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	120.7800	0.000	1	120.7800	0.000	1	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	121.3480	0.000	1	121.3480	0.000	1	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	120.1350	0.000	2	120.1350	0.000	2	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>}	121.9160	0.000	1	121.9160	0.000	1	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	120.9150	0.000	1	120.9150	0.000	1	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CC[5]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	121.3960	0.000	1	121.3960	0.000	1	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	119.4640	0.000	1	119.4640	0.000	1	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<4>,1|P<4>}	123.7430	0.000	1	123.7430	0.000	1	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,1|C<4>}	121.3320	0.000	1	121.3320	0.000	1	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,2|C<4>}	119.9230	4.817	2	119.9230	23.202	2	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>}	121.6770	0.000	1	123.0345	3.686	2	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	124.3920	0.000	1	123.0345	3.686	2	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CN[5]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	121.6890	0.000	1	121.6890	0.000	1	121.2512	3.548	15	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(PC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.4510	0.000	1	120.4510	0.000	1	120.4653	0.000	3	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(PN[5]NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(PN[5]NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.4860	0.000	1	120.4860	0.000	1	120.4653	0.000	3	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(PNiCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(PNiCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.4590	0.000	1	120.4590	0.000	1	120.4653	0.000	3	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SC[5]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(SC[5]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|S<4>}	118.7040	0.000	1	118.7040	0.000	1	119.0735	0.273	2	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|S<4>}	119.4430	0.000	1	119.4430	0.000	1	119.0735	0.273	2	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CCHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<2>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CCHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<2>}	119.6140	0.000	1	119.6140	0.000	1	119.4029	0.180	14	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|O<1>}	118.6640	0.000	1	118.6640	0.000	1	119.4029	0.180	14	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CHHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>}	119.2825	0.781	2	119.2825	0.611	2	119.4029	0.180	14	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){2|N<3>}	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<4>,1|N<2>}	118.6430	0.000	1	118.6430	0.000	1	119.4029	0.180	14	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<4>,1|N<2>}	119.5153	0.203	6	119.5153	0.041	6	119.4029	0.180	14	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CH3)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(N[6]N[6])(CH3){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<4>,1|N<2>}	119.6873	0.062	3	119.6873	0.004	3	119.4029	0.180	14	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	117.3095	0.489	2	117.3095	0.239	2	117.7237	0.312	4	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	118.1380	0.100	2	118.1380	0.010	2	117.7237	0.312	4	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(C[6]O[6]C)(H){2|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>}	121.8820	0.000	1	121.8820	0.000	1	121.8820	0.000	1	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-2:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(P[6]C[6])(SiC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]P[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(P[6]C[6])(SiC3){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|P<2>,1|P<3>}	125.5090	0.000	1	125.3690	0.039	2	125.3690	0.039	2	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-2:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(P[6]C[6])(SiC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]P[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(P[6]C[6])(SiC3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|P<2>,1|P<4>}	125.2290	0.000	1	125.3690	0.039	2	125.3690	0.039	2	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)2(H){1|C<2>,2|C<4>}	121.5150	0.000	1	121.5150	0.000	1	121.5150	0.000	1	120.4477	4.237	43	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH){1|C<2>,2|C<4>}	121.6650	0.000	1	121.6650	0.000	1	121.6650	0.000	1	120.7835	1.642	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC){1|C<2>,1|C<4>,1|H<1>}	121.2270	0.000	1	121.2270	0.000	1	121.2270	0.000	1	120.7835	1.642	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHO)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6])(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<2>,1|C<4>,1|H<1>}	119.9090	0.000	1	119.9090	0.000	1	119.9090	0.000	1	120.7835	1.642	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)2(OB)	C[6](C[6]C[6]O)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OB){1|O<2>,2|C<4>}	120.9688	1.653	4	120.9688	2.732	4	120.9688	2.732	4	120.7835	1.642	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:2:	C[6]-3:C[6]-3:I-1:	C[6]-3:N[6]-2:C-4:	N[6]-3:C[6]-3:N-2:	C[6](C[6]N[6]C)(C[6]N[6]N)(I)	C[6](C[6]C[6]I)(N[6]C[6])(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]I)(NC)	C[6](C[6]N[6]C)(C[6]N[6]N)(I){1|Pd<4>,1|C<3>}	C[6](C[6]C[6]I)(N[6]C[6])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]I)(NC){1|N<2>,2|C<4>}	119.5920	0.000	1	119.5920	0.000	1	119.5920	0.000	1	120.7835	1.642	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|O<2>,2|C<4>}	121.9322	0.315	6	121.9322	0.099	6	121.5366	0.344	10	121.5366	0.344	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|O<2>,2|C<4>}	120.9433	0.288	4	120.9433	0.083	4	121.5366	0.344	10	121.5366	0.344	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:B-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]B)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]B)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(BC[6a]3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CF3){1|B<4>,1|C<2>,1|C<4>}	122.0020	0.000	1	122.0020	0.000	1	122.0020	0.000	1	119.1302	0.952	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|B<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CF3){1|B<4>,1|C<2>,1|C<4>}	118.3030	0.000	1	118.3030	0.000	1	120.1090	2.578	3	119.1302	0.952	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CHHN){1|C<2>,2|C<4>}	121.0120	0.513	2	121.0120	0.264	2	120.1090	2.578	3	119.1302	0.952	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|N<2>}	118.7091	0.408	15	118.7091	0.166	15	118.7091	0.166	15	119.1302	0.952	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Eu<12>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Eu<12>,1|C<4>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	119.3900	0.000	1	119.3900	0.000	1	119.2150	0.308	6	119.1302	0.952	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Gd)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Gd<15>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Gd<15>,1|C<4>,1|N<3>,1|N<4>}	C[6](N[6]C[6]Gd)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<4>}	118.8595	0.405	2	118.8595	0.164	2	119.2150	0.308	6	119.1302	0.952	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Pr)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Pr<12>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Pr<12>,1|C<4>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Pr)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	119.6010	0.000	1	119.6010	0.000	1	119.2150	0.308	6	119.1302	0.952	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Rh<5>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Rh<5>,1|C<4>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	119.9730	0.000	1	119.9730	0.000	1	119.2150	0.308	6	119.1302	0.952	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Sm<12>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Sm<12>,1|C<4>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	118.6070	0.000	1	118.6070	0.000	1	119.2150	0.308	6	119.1302	0.952	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]C[6]MoH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Mo<7>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]MoH)(C[6]C[6]H)(H){1|C<4>,1|N<2>,1|P<4>}	119.9820	0.000	1	119.9820	0.000	1	119.9820	0.000	1	123.2050	20.775	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:2:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:S[6]-2:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]S[6]C)(H)	C[6](C[6]C[6]H)(S[6]C[6])(CCCO)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]S[6]C)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(S[6]C[6])(CCCO){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|S<2>,2|H<1>}	126.4280	0.000	1	126.4280	0.000	1	126.4280	0.000	1	123.2050	20.775	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[5,3x6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[3x6]C[5,3x6]C[3x6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.1080	0.000	1	121.1080	0.000	1	121.1080	0.000	1	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[3,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[5,6]C[3,5]C[5,6])(C[6]C[6]H)(H){1|C<2>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.7110	0.000	1	121.7110	0.000	1	120.3549	1.343	12	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.6400	0.000	1	119.4646	1.262	5	120.3549	1.343	12	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.1530	0.000	1	119.4646	1.262	5	120.3549	1.343	12	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.0580	0.000	1	119.4646	1.262	5	120.3549	1.343	12	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,1|O<2>,1|S<4>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	120.9790	0.000	1	119.4646	1.262	5	120.3549	1.343	12	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Se<4>,1|C<2>,1|H<1>,1|N<3>,1|O<3>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|Se<4>,1|C<3>,1|H<1>}	119.4930	0.000	1	119.4646	1.262	5	120.3549	1.343	12	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	120.8470	0.000	1	121.2920	0.396	2	120.3549	1.343	12	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.7370	0.000	1	121.2920	0.396	2	120.3549	1.343	12	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.8360	0.719	3	120.8360	0.517	3	120.3549	1.343	12	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	120.1330	0.000	1	120.1330	0.000	1	120.3549	1.343	12	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:I-1:	C[6](C[6]C[5,6]H)(C[6]C[6]I)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(I)	C[6](C[6]C[5,6]H)(C[6]C[6]I)(H){1|C<3>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|I<1>}	C[6](C[6]C[5,6])(C[6]C[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	118.3240	0.000	1	118.3240	0.000	1	118.3240	0.000	1	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	S[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]S[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](S[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]S[6]H)(H){2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](S[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	124.1800	0.451	2	124.1800	0.204	2	124.1800	0.204	2	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	Se[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]Se[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](Se[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]Se[6]H)(H){2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[6](Se[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	124.1160	0.000	1	124.1160	0.000	1	124.1160	0.000	1	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	121.4400	0.000	1	121.4400	0.000	1	121.6820	0.232	4	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.0600	0.000	1	122.0830	0.001	2	121.6820	0.232	4	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|Zn<5>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	122.1060	0.000	1	122.0830	0.001	2	121.6820	0.232	4	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.1220	0.000	1	121.1220	0.000	1	121.6820	0.232	4	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	Se[6]-2:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]Se[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	C[6](Se[6]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]Se[6]H)(H){2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[6](Se[6]C[5a,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	125.7180	0.000	1	125.7180	0.000	1	125.7180	0.000	1	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.4860	0.000	1	120.4887	3.433	3	120.8175	2.721	4	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.1540	0.000	1	120.4887	3.433	3	120.8175	2.721	4	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.8260	0.000	1	120.4887	3.433	3	120.8175	2.721	4	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	121.8040	0.000	1	121.8040	0.000	1	120.8175	2.721	4	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	120.1750	0.299	4	120.1750	0.090	4	120.1750	0.090	4	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:Br-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)(Br)	C[6](C[6]C[6,6a]H)(C[6]C[6]Br)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	119.9270	0.000	1	119.9270	0.000	1	119.9270	0.000	1	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.9800	0.000	1	120.5882	0.432	6	120.6257	0.370	7	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6680	0.000	1	120.5882	0.432	6	120.6257	0.370	7	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7202	0.603	4	120.5882	0.432	6	120.6257	0.370	7	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.8510	0.000	1	120.8510	0.000	1	120.6257	0.370	7	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6a])(C[6]C[6]H)(O){1|H<1>,2|C<3>}	121.4270	0.000	1	121.4270	0.000	1	121.4270	0.000	1	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:S-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]H)(C[6]O[6]S)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(S){1|H<1>,2|C<3>}	121.1293	0.081	3	121.1293	0.007	3	121.1293	0.007	3	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	S[6]-2:C[6]-3:S-1:	C[6](C[6]C[6,6a]H)(C[6]S[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](S[6]C[6,6a])(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]H)(C[6]S[6]S)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|S<1>,1|S<2>,2|C<3>}	C[6](S[6]C[6,6a])(C[6]C[6]H)(S){1|H<1>,2|C<3>}	126.1650	0.000	1	126.1650	0.000	1	126.1650	0.000	1	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]N[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.0530	0.000	1	118.0530	0.000	1	119.1787	0.265	10	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]N[6]H)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.3038	0.350	9	119.3038	0.123	9	119.1787	0.265	10	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6]-2:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]N[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<4>,3|H<1>}	C[6](N[6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|N<4>}	117.7330	0.000	1	117.7330	0.000	1	117.7330	0.000	1	120.6924	3.124	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:S-2:	C[6](C[6]C[6,6a]H)(C[6]O[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(SCr)	C[6](C[6]C[6,6a]H)(C[6]O[6]S)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|S<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(SCr){1|H<1>,2|C<3>}	120.8540	0.000	1	120.8540	0.000	1	120.8540	0.000	1	119.8290	2.101	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:O-2:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6])(C[6]C[6]O)(OH)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|S<2>}	C[6](C[5,6]C[5,6]S[5])(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|O<2>,1|S<2>}	C[6](C[6]C[5,6])(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|S<2>}	118.8040	0.000	1	118.8040	0.000	1	118.8040	0.000	1	119.8290	2.101	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](O[6]C[6,6a])(CC[6a]P[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]O[6]C)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(CC[6a]P[6])(C[6]C[6]H){1|H<1>,2|C<3>}	121.4580	0.238	3	121.4580	0.056	3	121.4580	0.056	3	121.6175	0.225	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCS)	C[6](C[6]C[6,6a]H)(C[6]O[6]C)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCS){1|H<1>,2|C<3>}	121.0710	0.000	1	121.0710	0.000	1	121.7770	0.429	3	121.6175	0.225	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2)	C[6](C[6]C[6,6a]H)(C[6]O[6]C)(H){2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|O<2>,4|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]2){1|H<1>,2|C<3>}	122.1300	0.332	2	122.1300	0.110	2	121.7770	0.429	3	121.6175	0.225	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	2:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	N[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](N[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|N<2>}	C[6](N[6]C[6,6a])(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	122.3950	0.000	1	122.3950	0.000	1	122.3950	0.000	1	122.3950	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	121.3040	0.000	1	121.3040	0.000	1	121.3040	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H)	C[6](C[6]C[6]Br)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(Br){1|Co<6>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6])(H){1|N<3>,2|H<1>}	117.7270	0.000	1	117.7270	0.000	1	118.3313	0.297	3	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Ru)(H)	C[6](C[6]C[6]Br)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(Br){1|Ru<5>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Ru)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]Br)(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	118.6335	0.213	2	118.6335	0.045	2	118.3313	0.297	3	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	119.0830	0.000	1	120.2130	2.554	2	120.2130	2.554	2	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]Cl)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	121.3430	0.000	1	120.2130	2.554	2	120.2130	2.554	2	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]Cl)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.9240	0.000	1	117.9240	0.000	1	118.7610	0.554	3	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Ru)(H)	C[6](C[6]C[6]Cl)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(Cl){1|Ru<6>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Ru)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]Cl)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.1795	0.240	2	119.1795	0.057	2	118.7610	0.554	3	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:D-1:	C[6]-3:C[6]-3:D-1:	C[6]-3:C[6]-2:D-1:	C[6](C[6]C[6]D)2(D)	C[6](C[6]C[6]D)(C[6]C[6]W)(D)	C[6](C[6]C[6]D)(C[6]C[6])(D)	C[6](C[6]C[6]D)2(D){1|C<3>,1|W<9>}	C[6](C[6]C[6]D)(C[6]C[6]W)(D){1|C<2>,2|D<1>}	C[6](C[6]C[6]D)(C[6]C[6])(D){1|C<3>,2|D<1>}	120.3230	0.000	1	120.3230	0.000	1	120.3230	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:D-1:	C[6]-3:N[6]-3:D-1:	C[6]-3:C[6]-2:D-1:	C[6](C[6]C[6]D)(C[6]N[6]D)(D)	C[6](C[6]C[6]D)(N[6]C[6]C)(D)	C[6](C[6]C[6]D)(C[6]C[6])(D)	C[6](C[6]C[6]D)(C[6]N[6]D)(D){1|C<3>,1|C<4>}	C[6](C[6]C[6]D)(N[6]C[6]C)(D){1|C<2>,2|D<1>}	C[6](C[6]C[6]D)(C[6]C[6])(D){1|N<3>,2|D<1>}	118.1020	0.000	1	118.1020	0.000	1	118.1020	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(F)	C[6](C[6]C[6]F)(N[6]C[6]H)(O)	C[6](C[6]C[6]F)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(F){1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]C[6]F)(N[6]C[6])(H){1|N<3>,2|O<1>}	122.2460	0.000	1	122.2460	0.000	1	122.2460	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(F)	C[6](N[6]C[6]Ir)(C[6]C[6]F)(H)	C[6](C[6]C[6]F)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(F){1|Ir<6>,1|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]F)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.7735	0.226	2	119.7735	0.051	2	119.7735	0.051	2	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(F)	C[6](N[6]C[5]C[6])(C[6]C[6]F)(H)	C[6](C[6]C[6]F)(N[6]C[6])(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(F){1|C<3>,1|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]F)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	C[6](C[6]C[6]F)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	122.0790	0.000	1	122.0790	0.000	1	122.0790	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(Cl){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	120.6350	0.000	1	120.6350	0.000	1	120.6350	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(F){1|C<2>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|F<1>}	118.6340	0.000	1	118.6340	0.000	1	118.6340	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(Br){1|C<3>,2|H<1>}	118.3540	1.270	2	118.3540	1.613	2	118.3540	1.613	2	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	119.4373	0.866	3	119.3438	0.535	4	119.3190	0.349	6	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	119.0630	0.000	1	119.3438	0.535	4	119.3190	0.349	6	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	119.0090	0.000	1	119.0090	0.000	1	119.3190	0.349	6	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(Cl){1|C<3>,2|H<1>}	119.5300	0.000	1	119.5300	0.000	1	119.3190	0.349	6	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:F-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<2>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,2|H<1>}	117.6420	0.000	1	117.6420	0.000	1	117.9210	0.156	2	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:F-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(F){1|C<3>,2|H<1>}	118.2000	0.000	1	118.2000	0.000	1	117.9210	0.156	2	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.6300	0.000	1	121.6300	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.5110	0.000	1	120.5110	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.5310	0.000	1	120.5310	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	119.9670	0.000	1	119.9670	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.4020	0.000	1	119.9670	0.329	3	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.9510	0.000	1	119.9670	0.329	3	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.5480	0.000	1	119.9670	0.329	3	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	118.4980	0.000	1	118.4980	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.9600	0.000	1	120.5368	0.182	6	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.7250	0.000	1	120.5368	0.182	6	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Rh<6>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.7940	0.000	1	120.5368	0.182	6	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Au<4>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Au<4>,1|C<3>,1|H<1>}	121.1260	0.000	1	120.5368	0.182	6	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.3080	0.153	2	120.5368	0.182	6	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|As<3>,1|C<2>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.3880	0.000	1	120.3507	0.195	3	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|As<4>,1|C<3>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.3320	0.622	2	120.3507	0.195	3	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.1050	0.645	5	120.1050	0.416	5	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Be)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|Be<3>,1|C<3>}	C[6](C[6]C[6]Be)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.1360	0.000	1	119.1360	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	122.4235	1.268	2	119.8734	3.520	27	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	119.0140	0.441	2	119.8734	3.520	27	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	119.3140	0.000	1	119.8734	3.520	27	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.6699	1.664	13	119.8734	3.520	27	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.8537	2.267	9	119.8734	3.520	27	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|Ga<3>,1|C<3>}	C[6](C[6]C[6]Ga)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.4300	0.000	1	120.4300	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|Ge<4>,1|C<3>}	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.4200	0.000	1	120.4200	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.3653	0.972	4	121.3653	0.944	4	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.5730	1.074	5	120.8253	0.723	9	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.1570	0.475	3	120.8253	0.723	9	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	121.0920	0.000	1	120.8253	0.723	9	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.3210	0.000	1	120.3018	0.335	36	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<3>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.1790	0.000	1	120.3018	0.335	36	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.3049	0.596	34	120.3018	0.335	36	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	120.3380	1.567	4	120.4689	1.362	7	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.4460	0.638	2	120.4689	1.362	7	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.0380	0.000	1	120.4689	1.362	7	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	119.4390	0.000	1	119.0500	0.355	3	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	118.8555	0.695	2	119.0500	0.355	3	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	121.0040	0.000	1	119.4806	1.288	5	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|C<4>,1|H<1>}	120.0620	0.000	1	119.4806	1.288	5	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	118.3250	0.000	1	119.4806	1.288	5	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	119.6000	0.000	1	119.4806	1.288	5	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Zn<5>,1|C<3>,1|H<1>}	118.4120	0.000	1	119.4806	1.288	5	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Re<6>,1|C<3>,1|H<1>}	119.3390	0.000	1	119.3390	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Cu<5>,1|C<3>,1|H<1>}	120.0930	0.328	2	119.9790	0.093	3	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|Pt<6>,1|C<3>,1|H<1>}	119.7510	0.000	1	119.9790	0.093	3	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.6980	0.000	1	119.6980	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|Pd<4>,1|C<3>}	C[6](C[6]C[6]Pd)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	119.2940	0.000	1	119.2940	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Sb)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|Sb<5>,1|C<3>}	C[6](C[6]C[6]Sb)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.6295	0.757	2	119.6295	0.574	2	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|Se<2>,1|C<3>}	C[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.5150	1.242	2	120.5150	1.542	2	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.5169	1.147	8	119.5169	1.316	8	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|Sn<4>,1|C<3>}	C[6](C[6]C[6]Sn)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.8365	0.333	2	120.2260	0.511	3	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|Sn<5>,1|C<3>}	C[6](C[6]C[6]Sn)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	121.0050	0.000	1	120.2260	0.511	3	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.3120	0.000	1	120.3120	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|H<1>}	118.8080	0.451	2	118.8080	0.204	2	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|N<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.5230	0.000	1	119.6715	1.450	2	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.8200	0.000	1	119.6715	1.450	2	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>}	C[6](C[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.1210	0.000	1	119.1210	0.000	1	120.1102	1.277	143	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(I){1|C<3>,2|H<1>}	118.7680	0.000	1	118.7680	0.000	1	118.7680	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]N[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(Cl){1|C<3>,2|H<1>}	118.1050	0.000	1	118.1050	0.000	1	117.0830	2.089	2	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Pd<4>,1|N<3>}	C[6](C[6]N[6]Pd)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(Cl){1|C<3>,1|C<4>,1|H<1>}	116.0610	0.000	1	116.0610	0.000	1	117.0830	2.089	2	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	119.1070	0.000	1	119.1070	0.000	1	117.7074	0.721	35	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(H){1|Ca<8>,1|C<3>,1|H<1>}	117.3505	0.235	2	117.5950	0.072	5	117.7074	0.721	35	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(H){1|Co<6>,1|C<3>,1|H<1>}	117.7270	0.000	1	117.5950	0.072	5	117.7074	0.721	35	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(H){1|Li<4>,1|C<3>,1|H<1>}	117.6440	0.000	1	117.5950	0.072	5	117.7074	0.721	35	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<6>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(H){1|Mg<6>,1|C<3>,1|H<1>}	117.9030	0.000	1	117.5950	0.072	5	117.7074	0.721	35	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(H){1|Co<6>,1|C<3>,1|H<1>}	117.3340	0.334	4	117.6785	0.793	29	117.7074	0.721	35	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]N[6])(H){1|C<3>,2|H<1>}	118.8476	1.087	5	117.6785	0.793	29	117.7074	0.721	35	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(H){1|Ni<6>,1|C<3>,1|H<1>}	117.2894	0.459	10	117.6785	0.793	29	117.7074	0.721	35	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	117.8907	1.182	4	117.6785	0.793	29	117.7074	0.721	35	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(H){1|Re<6>,1|C<3>,1|H<1>}	117.6610	0.000	1	117.6785	0.793	29	117.7074	0.721	35	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(H){1|Ru<6>,1|C<3>,1|H<1>}	116.5760	0.000	1	117.6785	0.793	29	117.7074	0.721	35	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(H){1|Zn<4>,1|C<3>,1|H<1>}	117.6022	0.518	4	117.6785	0.793	29	117.7074	0.721	35	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6])(O){1|C<3>,2|H<1>}	120.9440	0.000	1	120.9440	0.000	1	120.9440	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|H<1>,2|C<4>}	121.9450	0.000	1	121.9450	0.000	1	121.9450	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|S<1>,2|C<3>}	121.1165	0.204	2	120.6742	0.148	6	120.6742	0.148	6	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<1>}	120.4530	0.191	4	120.6742	0.148	6	120.6742	0.148	6	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|H<1>}	119.2903	0.639	4	119.2938	0.306	5	119.2310	0.269	6	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|H<1>}	119.3080	0.000	1	119.2938	0.306	5	119.2310	0.269	6	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	118.9170	0.000	1	118.9170	0.000	1	119.2310	0.269	6	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|H<1>,1|N<3>}	117.5500	0.000	1	117.2635	0.358	4	116.8808	0.781	53	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.8240	0.505	2	117.2635	0.358	4	116.8808	0.781	53	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	117.8560	0.000	1	117.2635	0.358	4	116.8808	0.781	53	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.1612	0.525	6	116.7554	0.715	46	116.8808	0.781	53	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.6337	0.690	31	116.7554	0.715	46	116.8808	0.781	53	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<1>}	115.7763	0.842	3	116.7554	0.715	46	116.8808	0.781	53	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<2>}	116.4513	0.101	3	116.7554	0.715	46	116.8808	0.781	53	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	118.4843	0.867	3	116.7554	0.715	46	116.8808	0.781	53	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	118.4560	0.000	1	118.4560	0.000	1	116.8808	0.781	53	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]U)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|U<16>,1|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]U)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	118.3510	0.000	1	118.3510	0.000	1	116.8808	0.781	53	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|C<3>,1|W<7>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	118.0760	0.000	1	118.0760	0.000	1	116.8808	0.781	53	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-1:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(N)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(N){1|Cl<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|N<1>,2|N<3>}	114.8020	0.000	1	114.8020	0.000	1	114.8020	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|N<3>,2|O<1>}	116.7700	0.247	2	116.7700	0.061	2	116.7700	0.061	2	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	118.8670	0.000	1	118.8670	0.000	1	118.4830	2.277	15	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.3050	0.076	2	119.1623	0.163	7	118.4830	2.277	15	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	119.0323	0.486	3	119.1623	0.163	7	118.4830	2.277	15	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	118.7670	0.000	1	119.1623	0.163	7	118.4830	2.277	15	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|Si<5>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Si<5>,1|H<1>,1|N<3>}	119.6620	0.000	1	119.1623	0.163	7	118.4830	2.277	15	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<3>}	118.6460	0.000	1	118.6460	0.000	1	118.4830	2.277	15	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.8775	2.145	2	117.8775	4.600	2	118.4830	2.277	15	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	113.8460	0.000	1	113.8460	0.000	1	118.4830	2.277	15	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<3>}	118.3570	0.000	2	118.3570	0.000	2	118.4830	2.277	15	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<2>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,1|N<3>}	119.2810	0.000	1	119.2810	0.000	1	118.4830	2.277	15	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Ag<4>,1|C<3>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<2>}	116.8540	0.000	1	116.8540	0.000	1	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Ca<8>,1|C<4>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|Ca<8>,1|H<1>,2|N<3>}	116.3090	0.000	1	116.3090	0.000	1	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Cd<6>,1|C<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.2775	0.378	4	116.9960	0.503	5	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Cd<6>,1|C<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.8700	0.000	1	116.9960	0.503	5	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Co<6>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.9814	1.164	10	117.9814	1.356	10	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Cr<6>,1|C<3>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.6330	0.000	1	117.6330	0.000	1	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Cu<4>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.1305	0.358	4	116.9428	0.246	25	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Cu<4>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.6310	0.268	6	116.9428	0.246	25	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Cu<4>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	116.9220	0.000	1	116.9428	0.246	25	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Cu<5>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.6340	0.000	1	116.9428	0.246	25	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Cu<5>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.0828	0.559	11	116.9428	0.246	25	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Cu<5>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|O<2>}	116.4840	0.000	1	116.9428	0.246	25	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Cu<6>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.3120	0.000	1	116.9428	0.246	25	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Eu<9>,1|C<3>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.9763	0.196	4	116.9763	0.038	4	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Fe<6>,1|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.6193	0.532	21	117.5301	0.299	25	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Fe<6>,1|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.0618	0.395	4	117.5301	0.299	25	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Ir<6>,1|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.2154	1.225	14	116.7647	2.259	22	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Ir<8>,1|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.9760	1.695	8	116.7647	2.259	22	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Mn<6>,1|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.9627	0.806	29	116.9933	0.605	32	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Mn<6>,1|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.3060	0.498	2	116.9933	0.605	32	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Mn<6>,1|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	117.2550	0.000	1	116.9933	0.605	32	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Ni<4>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.4425	0.345	4	116.9941	0.506	38	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Ni<4>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.3895	0.667	2	116.9941	0.506	38	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.2392	0.587	22	116.9941	0.506	38	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.4232	1.137	4	116.9941	0.506	38	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<2>}	116.3782	0.277	6	116.9941	0.506	38	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.1349	0.722	15	117.2447	0.425	43	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.4612	0.531	20	117.2447	0.425	43	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<2>}	115.9760	0.190	2	117.2447	0.425	43	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	117.3310	0.428	4	117.2447	0.425	43	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Pd<6>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.0010	0.346	2	117.2447	0.425	43	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Pt<4>,1|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.7506	1.128	21	117.7448	1.053	27	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Pt<5>,1|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<2>}	117.1475	0.551	2	117.7448	1.053	27	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Pt<6>,1|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	118.0132	0.460	4	117.7448	1.053	27	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Re<6>,1|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.3060	0.773	18	117.3997	0.880	24	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Re<6>,1|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.9083	0.492	4	117.3997	0.880	24	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Re<6>,1|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<3>}	119.2370	0.000	1	117.3997	0.880	24	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Re<6>,1|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|H<1>}	115.2150	0.000	1	117.3997	0.880	24	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Rh<6>,1|C<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.8650	1.010	2	117.2406	3.769	7	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Rh<8>,1|C<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	116.9908	2.264	5	117.2406	3.769	7	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Ru<6>,1|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.6172	0.888	4	117.4785	0.572	13	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Ru<6>,1|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.4611	0.779	8	117.4785	0.572	13	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Ru<9>,1|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	117.0630	0.000	1	117.4785	0.572	13	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Sn<7>,1|C<3>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,1|N<3>,1|S<2>}	117.1347	0.358	3	117.1347	0.128	3	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Zn<4>,1|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|N<3>}	115.9260	0.000	1	116.6905	0.214	6	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Zn<5>,1|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.5480	0.180	2	116.6905	0.214	6	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(H){1|Zn<6>,1|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.0403	0.154	3	116.6905	0.214	6	117.2174	0.837	287	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|O<1>}	119.4010	0.000	1	119.4010	0.000	1	119.4010	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-2:Br-1:	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)2(O){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]O)(C[6]C[6])(Br){1|Br<1>,1|C<3>,1|C<4>}	112.3190	0.000	1	112.3190	0.000	1	112.3190	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:Br-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6])(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(O){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|H<1>,1|N<2>}	C[6](C[6]C[6]O)(N[6]C[6])(Br){1|C<3>,2|H<1>}	115.9400	0.000	1	115.9400	0.000	1	115.9400	0.000	1	118.1186	2.791	583	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<2>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(CC){1|C<3>,2|H<1>}	120.4270	0.000	1	120.4270	0.000	1	120.6415	0.092	2	119.1127	3.498	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,2|C<2>}	C[6](C[6]C[6]H)(C[6]C[6])(CC){1|C<3>,2|H<1>}	120.8560	0.000	1	120.8560	0.000	1	120.6415	0.092	2	119.1127	3.498	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NN)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6])(NN){1|C<3>,2|H<1>}	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	119.1127	3.498	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,2|H<1>}	120.1060	0.339	2	120.1060	0.115	2	120.4822	0.761	4	119.1127	3.498	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,2|H<1>}	121.7530	0.000	1	121.7530	0.000	1	120.4822	0.761	4	119.1127	3.498	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6])(OC){1|C<3>,2|H<1>}	119.9640	0.000	1	119.9640	0.000	1	120.4822	0.761	4	119.1127	3.498	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]N[6])(OH)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)(N[6]N[6])(OH){1|Ni<6>,1|C<3>,1|H<1>}	119.6900	0.000	1	119.6900	0.000	1	117.5917	4.435	3	119.1127	3.498	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6])(OC)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]N[6])(OC){1|Pd<4>,1|C<3>,1|H<1>}	117.6070	0.000	1	117.6070	0.000	1	117.5917	4.435	3	119.1127	3.498	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6])(OC)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cl<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Re<6>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)(N[6]N[6])(OC){1|Re<6>,1|C<3>,1|H<1>}	115.4780	0.000	1	115.4780	0.000	1	117.5917	4.435	3	119.1127	3.498	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|B<4>,1|C<3>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,2|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(OC){1|H<1>,2|C<3>}	116.8445	0.391	2	116.8445	0.153	2	116.8445	0.153	2	119.1127	3.498	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:O-2:	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(OH)	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|N<2>,1|O<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(OH){1|H<1>,1|N<3>,1|S<2>}	118.6830	0.000	1	118.6830	0.000	1	118.6830	0.000	1	119.1127	3.498	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(Br){1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]C[6])(NC[6]H){1|C<3>,2|H<1>}	122.0060	0.000	1	122.0060	0.000	1	122.0060	0.000	1	120.0943	1.766	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCH){1|C<3>,2|H<1>}	121.9660	0.000	1	121.9660	0.000	1	121.9660	0.000	1	120.0943	1.766	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NCC){1|C<3>,1|H<1>}	120.2480	0.000	1	120.2480	0.000	1	119.7712	1.014	5	120.0943	1.766	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NC[6a]H){1|C<3>,2|H<1>}	120.5870	0.000	1	120.5870	0.000	1	119.7712	1.014	5	120.0943	1.766	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|H<1>}	118.5340	0.000	1	118.6870	0.047	2	119.7712	1.014	5	120.0943	1.766	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|H<1>}	118.8400	0.000	1	118.6870	0.047	2	119.7712	1.014	5	120.0943	1.766	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NPdC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NPdC){1|C<3>,2|H<1>}	120.6470	0.000	1	120.6470	0.000	1	119.7712	1.014	5	120.0943	1.766	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:C-3:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6])(COO)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|N<3>,2|O<1>}	119.1470	0.000	1	119.1470	0.000	1	119.1470	0.000	1	120.0943	1.766	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CNO){1|N<3>,2|H<1>}	118.8740	0.000	1	118.8740	0.000	1	118.8740	0.000	1	120.0943	1.766	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-2:S-4:	C[6](C[6]C[6]Br)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)(C[6]C[6])(SC[6]OO)	C[6](C[6]C[6]Br)(C[6]C[6]S)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6])(SC[6]OO){2|Br<1>,1|C<3>}	118.3990	0.000	1	118.3990	0.000	1	118.3990	0.000	1	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<2>,1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(CC3){1|Ir<6>,1|C<3>,1|H<1>}	120.9880	0.000	1	120.9880	0.000	1	121.0173	0.916	7	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CCHH){1|C<3>,2|H<1>}	121.4590	0.000	1	121.4590	0.000	1	121.0173	0.916	7	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	121.2680	0.000	1	121.2680	0.000	1	121.0173	0.916	7	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHHS)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CHHS){1|C<3>,2|H<1>}	119.5450	0.000	1	119.5450	0.000	1	121.0173	0.916	7	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CHNP)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CHNP){1|C<3>,2|H<1>}	120.5920	0.000	1	120.5920	0.000	1	121.0173	0.916	7	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|H<1>}	122.6660	0.000	1	122.6660	0.000	1	121.0173	0.916	7	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CF3){1|C<3>,2|H<1>}	120.6030	0.000	1	120.6030	0.000	1	121.0173	0.916	7	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:N-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6])(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6])(NH3){1|C<3>,2|H<1>}	118.9500	0.000	1	118.9500	0.000	1	118.9500	0.000	1	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6])(SNOO){1|C<3>,2|H<1>}	119.1895	0.262	2	119.1895	0.069	2	119.4688	0.173	4	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SN[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6])(SN[5]OO){1|C<3>,2|H<1>}	119.4840	0.000	1	119.4840	0.000	1	119.4688	0.173	4	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6])(SN[6]OO){1|C<3>,2|H<1>}	120.0120	0.000	1	120.0120	0.000	1	119.4688	0.173	4	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|C<3>,2|H<1>}	119.7860	0.351	2	119.7860	0.123	2	119.7860	0.123	2	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]O)(C[6]O[6]C)(H){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,2|O<1>}	121.5009	0.430	12	121.5009	0.185	12	121.5009	0.185	12	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]O[6]C)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|S<1>,2|C<3>}	120.3270	0.000	1	120.3270	0.000	1	120.3270	0.000	1	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|H<1>,2|N<3>}	117.6272	0.247	5	117.6272	0.061	5	117.6272	0.061	5	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(N[6]S[6]H)(O)	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C[6](C[6]N[6]O)(C[6]O[6]C)(H){1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]S[6]H)(O){1|C<4>,1|O<2>,2|O<1>}	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<3>,3|O<1>}	122.6073	0.269	3	122.6073	0.072	3	122.6073	0.072	3	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|H<1>}	118.0710	0.000	1	117.5010	0.650	2	117.9300	0.877	3	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|H<1>,2|N<3>}	116.9310	0.000	1	117.5010	0.650	2	117.9300	0.877	3	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|H<1>}	118.7880	0.000	1	118.7880	0.000	1	117.9300	0.877	3	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]N[6]O)(C[6]O[6]C)(H)	C[6](N[6]S[6]Pd)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(O[6]S[6])(CH3)	C[6](C[6]N[6]O)(C[6]O[6]C)(H){1|Pd<4>,1|S<4>}	C[6](N[6]S[6]Pd)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|O<1>}	C[6](C[6]C[6]H)(O[6]S[6])(CH3){1|N<3>,3|O<1>}	123.7870	0.000	1	123.7870	0.000	1	123.7870	0.000	1	120.3448	3.092	40	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H){1|C<3>,1|C<4>,1|O<1>}	122.1910	0.000	1	123.0225	1.383	2	123.0225	1.383	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]Br)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H){1|C<3>,1|O<1>,1|O<2>}	123.8540	0.000	1	123.0225	1.383	2	123.0225	1.383	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]Br)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(Br){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]Br)(H){1|H<1>,2|C<3>}	120.7974	0.555	10	120.7974	0.308	10	120.7974	0.308	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	121.9833	0.362	3	121.9612	0.153	5	121.9612	0.153	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|I<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	122.3430	0.000	1	121.9612	0.153	5	121.9612	0.153	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	121.5130	0.000	1	121.9612	0.153	5	121.9612	0.153	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(H){1|O<1>,2|C<3>}	122.2855	0.708	2	122.2855	0.501	2	122.2855	0.501	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)2(Br){1|N<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(Br){1|Br<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(Br){1|Br<1>,1|Co<6>,1|C<3>}	116.9837	0.378	3	116.9837	0.143	3	116.9837	0.143	3	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|O<2>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|H<1>}	123.7050	0.000	1	123.7050	0.000	1	121.9864	0.863	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){2|Br<1>,1|C<3>}	119.9570	0.000	1	120.7293	0.667	3	121.9864	0.863	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	121.1155	0.663	2	120.7293	0.667	3	121.9864	0.863	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)2(O){2|Br<1>,1|C<3>}	122.1610	0.544	10	122.1730	0.268	11	121.9864	0.863	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)2(O){1|Br<1>,1|C<3>,1|O<2>}	122.2930	0.000	1	122.1730	0.268	11	121.9864	0.863	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[5a]C[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]Br)(H){1|Tb<12>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|Tb<12>,1|C<3>,1|H<1>,1|O<3>}	121.5520	0.000	1	121.5520	0.000	1	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(Br){3|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<3>}	120.9288	0.314	6	120.9288	0.099	6	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	120.5360	0.000	1	120.5556	0.352	9	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	120.5580	0.634	8	120.5556	0.352	9	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(Br){1|O<2>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	122.4605	0.869	2	122.4605	0.755	2	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Br)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	121.4610	0.000	1	120.8777	0.211	8	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)2(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)2(H){1|C<3>,1|H<1>,1|O<1>}	120.7944	0.426	7	120.8777	0.211	8	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Br){1|C<2>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.8650	0.000	1	120.8650	0.000	1	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Br){1|N<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.4670	0.926	25	120.2886	0.815	36	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Br){1|N<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.7643	0.652	10	120.2886	0.815	36	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Br){1|N<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.0730	0.000	1	120.2886	0.815	36	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.8700	0.000	1	120.4475	1.258	10	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|H<1>,1|N<3>,1|U<9>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|U<9>}	120.0110	0.065	2	120.4475	1.258	10	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.6056	1.623	5	120.4475	1.258	10	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Br){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.2775	0.207	2	120.4475	1.258	10	120.5452	0.807	73	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<4>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	123.2735	0.477	2	123.2735	0.228	2	123.6417	0.677	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	121.7120	0.000	1	121.7120	0.000	1	123.6417	0.677	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)2(O){1|C<3>,1|H<1>}	124.7030	0.000	1	123.7688	0.431	5	123.6417	0.677	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)2(O){1|C<3>,2|H<1>}	123.8075	0.575	2	123.7688	0.431	5	123.6417	0.677	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)2(O){1|C<3>,2|H<1>}	123.2630	0.075	2	123.7688	0.431	5	123.6417	0.677	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	123.0220	0.000	1	123.0220	0.000	1	123.6417	0.677	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	122.8860	0.000	1	122.8860	0.000	1	123.6417	0.677	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)2(O){1|C<3>,2|H<1>}	123.6370	0.470	2	123.6370	0.220	2	123.6417	0.677	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]S)(H)	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]Br)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)2(O){1|C<3>,2|H<1>}	124.0686	0.775	8	124.0686	0.601	8	123.6417	0.677	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.7000	0.000	1	118.7000	0.000	1	120.1464	1.159	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	119.7900	0.790	3	120.1416	0.387	19	120.1464	1.159	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|I<1>}	119.2510	0.000	1	120.1416	0.387	19	120.1464	1.159	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.2713	0.554	15	120.1416	0.387	19	120.1464	1.159	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	119.7430	0.000	1	120.1526	0.653	28	120.1464	1.159	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	119.4580	0.048	2	120.1526	0.653	28	120.1464	1.159	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	120.2246	0.826	25	120.1526	0.653	28	120.1464	1.159	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]Ir)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Ir)(H){1|H<1>,2|C<3>}	119.5893	2.445	6	119.5893	5.978	6	120.1464	1.159	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.2405	0.824	2	121.1218	0.739	6	120.1464	1.159	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	121.5625	0.479	4	121.1218	0.739	6	120.1464	1.159	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]Re)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Re)(H){1|H<1>,2|C<3>}	119.0680	0.485	2	119.0680	0.235	2	120.1464	1.159	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(N[6]C[6]Ru)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Ru)(H){1|H<1>,2|C<3>}	120.6500	1.459	2	120.6500	2.130	2	120.1464	1.159	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<2>,1|C<3>,1|O<1>}	121.6996	0.348	12	121.6996	0.121	12	121.6996	0.121	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)2(H){1|C<3>,1|N<3>,1|O<1>}	124.0710	0.000	1	123.2348	0.450	8	122.9879	0.942	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)2(H){1|C<3>,1|H<1>,1|O<1>}	123.1153	0.626	7	123.2348	0.450	8	122.9879	0.942	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	121.0130	0.000	1	121.0130	0.000	1	122.9879	0.942	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<1>}	123.2773	0.625	18	123.2773	0.391	18	123.2773	0.391	18	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H)	C[6](C[6]C[6]Br)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(Br){1|Br<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)2(Br){1|N<3>,2|H<1>}	119.8470	0.920	6	119.8470	0.846	6	119.8470	0.846	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)2(H){1|N<3>,2|H<1>}	120.8383	0.736	14	120.8383	0.542	14	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.6870	0.000	1	119.6870	0.000	1	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Co)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)2(H){1|N<3>,2|H<1>}	120.3901	0.635	20	120.3901	0.403	20	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Cu)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Cu)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.6610	0.000	1	120.0125	0.247	2	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Cu)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Cu)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.3640	0.000	1	120.0125	0.247	2	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Fe)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Fe)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.5127	0.479	6	120.5127	0.230	6	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.5066	0.316	16	119.5066	0.100	16	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]Br)2(H){1|H<1>,1|N<2>,1|N<3>}	120.2080	0.000	1	119.6699	0.485	7	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)2(H){1|H<1>,2|N<3>}	119.4487	0.234	3	119.6699	0.485	7	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)2(H){1|N<3>,2|H<1>}	119.7117	1.086	3	119.6699	0.485	7	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Ni)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Ni)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.1125	1.191	6	120.0238	1.106	8	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Ni)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Ni)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.7575	0.678	2	120.0238	1.106	8	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Os)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Os)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.0040	0.770	3	121.0040	0.593	3	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Pd)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Pd)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.6473	0.895	3	120.6473	0.801	3	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Pt)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Pt)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.1210	0.000	1	120.1210	0.000	1	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Re)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Re)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.8770	0.000	1	118.8770	0.000	1	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Zn)(H)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Zn<6>,2|C<3>}	C[6](C[6]C[6]Br)(N[6]C[6]Zn)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	119.8305	0.095	2	119.8305	0.009	2	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]Zn)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Zn)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.9180	0.000	1	118.9180	0.000	1	120.1746	0.648	85	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]C)(H)	C[6](C[6]C[6]Br)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	121.3070	0.000	1	121.3070	0.000	1	121.3070	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(C)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(C)	C[6](C[6]C[6]C)(C[6]C[6]O)(C){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<1>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(C){1|Cl<1>,1|C<3>,1|O<1>}	122.1670	1.394	2	122.1670	1.944	2	122.1670	1.944	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]Cl)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(Cl){1|Zn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]Cl)(H){1|H<1>,2|C<3>}	119.7780	0.000	1	119.7780	0.000	1	119.7780	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl){1|O<1>,2|C<3>}	122.1060	0.168	2	122.2225	0.055	4	122.2225	0.055	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|Cl<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(Cl){1|O<1>,2|C<3>}	122.3390	0.287	2	122.2225	0.055	4	122.2225	0.055	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(H){1|O<1>,2|C<3>}	123.5640	0.000	1	123.5640	0.000	1	123.5640	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	121.7989	0.506	30	121.1608	0.809	51	120.5003	2.158	67	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	119.1780	0.000	1	121.1608	0.809	51	120.5003	2.158	67	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(Cl){2|Cl<1>,1|C<3>}	120.3329	0.317	19	121.1608	0.809	51	120.5003	2.158	67	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	119.7320	0.000	1	121.1608	0.809	51	120.5003	2.158	67	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl)	C[6](C[6]C[6]Cl)2(Cl){2|Cl<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	118.3830	0.000	1	118.3830	0.000	1	120.5003	2.158	67	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Co<6>,1|C<3>}	117.4630	0.000	1	117.3844	0.051	5	120.5003	2.158	67	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Pd<4>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Pd<4>,1|C<3>}	117.1805	0.248	2	117.3844	0.051	5	120.5003	2.158	67	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Zn<4>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Zn<4>,1|C<3>}	117.5490	0.007	2	117.3844	0.051	5	120.5003	2.158	67	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	118.9016	0.326	10	118.9016	0.106	10	120.5003	2.158	67	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<1>}	118.7590	5.011	2	118.7590	25.106	2	120.5148	6.918	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(H){2|Cl<1>,1|C<3>}	121.3928	0.281	4	121.3928	0.079	4	120.5148	6.918	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	121.8900	0.416	4	121.8900	0.173	4	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){2|Cl<1>,1|C<3>}	121.8890	0.000	1	121.8890	0.000	1	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<2>,1|C<3>}	120.2760	0.000	1	120.7000	0.360	2	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){2|Cl<1>,1|C<3>}	121.1240	0.000	1	120.7000	0.360	2	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){1|Cl<1>,1|C<3>,1|S<3>}	121.7040	0.180	4	121.2411	0.565	7	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){2|Cl<1>,1|C<3>}	120.6455	1.135	2	121.2411	0.565	7	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<2>,1|S<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){1|Cl<1>,1|C<3>,1|S<3>}	120.5810	0.000	1	121.2411	0.565	7	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|N<3>}	122.3440	0.000	1	122.0097	0.251	145	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|O<2>}	121.5080	0.000	1	122.0097	0.251	145	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<4>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|S<4>}	121.5145	0.740	2	122.0097	0.251	145	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	122.0188	0.500	140	122.0097	0.251	145	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|O<1>,2|C<3>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,2|C<3>}	121.8980	0.000	1	122.0097	0.251	145	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	122.6272	0.380	20	122.6272	0.144	20	122.0307	0.328	179	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|C<3>,2|H<1>}	120.8695	2.599	2	120.8695	6.753	2	120.8695	6.753	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[5,6]H)(C[6]C[6]Cl)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]Cl)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H){1|H<1>,3|C<3>}	123.7720	0.000	1	123.7720	0.000	1	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Br)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	120.8440	0.000	1	120.8440	0.000	1	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	120.8167	0.450	7	120.8167	0.203	7	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	121.0600	0.000	1	120.8822	0.130	9	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Cl)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	120.8780	0.178	2	120.8822	0.130	9	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	120.8540	0.441	6	120.8822	0.130	9	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	120.7190	0.000	1	120.7190	0.000	1	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	120.8290	0.000	1	120.8290	0.000	1	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	122.9220	0.000	1	122.9220	0.000	1	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	120.2335	0.342	2	120.2335	0.117	2	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	120.9270	0.000	1	120.9270	0.000	1	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	122.0780	0.000	1	121.4297	0.888	6	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	121.4230	0.000	1	121.4297	0.888	6	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	122.8300	0.000	1	121.4297	0.888	6	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<4>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.9530	0.649	2	121.4297	0.888	6	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<4>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.3410	0.000	1	121.4297	0.888	6	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	120.5230	0.000	1	120.4315	0.075	8	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.7145	0.002	2	120.4315	0.075	8	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.3590	0.000	1	120.4315	0.075	8	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.8700	0.000	1	120.4315	0.075	8	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.4237	0.131	3	120.4315	0.075	8	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.0598	0.586	66	120.9463	0.479	72	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.0250	0.085	2	120.9463	0.479	72	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Cu<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Cu<2>,1|C<3>,1|H<1>}	120.1640	0.000	1	120.9463	0.479	72	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.7790	0.000	1	120.9463	0.479	72	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.9660	0.000	1	120.9463	0.479	72	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.2300	0.000	1	120.9463	0.479	72	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(Cl){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]N)(H){1|Os<9>,1|C<3>,1|H<1>}	120.3860	0.000	1	120.3860	0.000	1	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)2(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	121.6175	1.108	2	121.6175	1.228	2	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.6340	0.402	2	120.6340	0.161	2	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	121.8410	0.000	1	122.1617	0.128	13	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	122.0032	0.243	4	122.1617	0.128	13	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	122.1025	0.317	2	122.1617	0.128	13	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	122.4763	0.212	3	122.1617	0.128	13	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	122.2047	0.574	3	122.1617	0.128	13	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6a]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]Cl)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.8950	0.000	1	120.8950	0.000	1	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6a]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]Cl)(H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	120.4400	0.000	1	120.4400	0.000	1	121.0664	0.620	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	123.5639	0.361	15	123.5639	0.130	15	123.4971	0.377	33	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]F)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	123.0315	0.286	4	123.0315	0.082	4	123.4971	0.377	33	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|Cl<1>,1|C<3>,1|H<1>}	123.1030	0.000	1	123.1030	0.000	1	123.4971	0.377	33	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	122.2090	0.000	1	122.2090	0.000	1	123.4971	0.377	33	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	122.7800	0.000	1	122.7800	0.000	1	123.4971	0.377	33	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	123.5916	0.654	8	123.5916	0.427	8	123.4971	0.377	33	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	124.3313	0.890	3	124.3313	0.793	3	123.4971	0.377	33	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.6020	0.000	1	120.6020	0.000	1	120.2612	0.464	26	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.2697	0.115	3	120.2697	0.013	3	120.2612	0.464	26	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]Er)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Er<15>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Er<15>,1|H<1>,2|N<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Er)(H){1|C<3>,1|H<1>,1|N<3>}	118.9640	0.000	1	118.9640	0.000	1	120.2612	0.464	26	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	120.2999	0.715	16	120.2999	0.512	16	120.2612	0.464	26	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]Re)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Re)(H){1|H<1>,2|C<3>}	120.2077	0.438	3	120.2077	0.192	3	120.2612	0.464	26	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]Y)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Y<15>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Y<15>,1|H<1>,2|N<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Y)(H){1|C<3>,1|H<1>,1|N<3>}	119.6120	0.000	1	119.6120	0.000	1	120.2612	0.464	26	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]Ni)(H)	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){2|Ni<4>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]Ni)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(H){1|C<3>,2|H<1>}	121.3820	0.000	1	121.3820	0.000	1	120.2612	0.464	26	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<1>,1|C<3>,1|O<1>}	122.5570	2.018	2	122.4240	0.341	32	121.6289	1.023	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	122.3921	0.476	26	122.4240	0.341	32	121.6289	1.023	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	123.1260	0.000	1	122.4240	0.341	32	121.6289	1.023	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	122.3777	0.381	3	122.4240	0.341	32	121.6289	1.023	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|O<1>}	121.0910	0.000	1	121.0910	0.000	1	121.6289	1.023	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	120.8235	0.683	30	120.8617	0.496	31	121.6289	1.023	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	122.0100	0.000	1	120.8617	0.496	31	121.6289	1.023	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(O){2|Cl<1>,1|C<3>,2|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	120.5070	0.000	1	120.5070	0.000	1	121.6289	1.023	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	124.2160	0.000	1	123.0847	0.418	7	122.7714	1.388	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	122.8962	0.450	6	123.0847	0.418	7	122.7714	1.388	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	121.9610	2.768	2	121.9610	7.660	2	122.7714	1.388	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(O)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	122.1990	0.000	1	122.1990	0.000	1	122.7714	1.388	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<1>}	122.9531	0.591	79	122.9531	0.349	79	122.9531	0.349	79	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(Cl){2|Cl<1>,1|N<3>}	120.1715	0.077	2	120.1715	0.006	2	120.1715	0.006	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(Cl){1|N<3>,2|H<1>}	119.5575	0.196	2	119.5575	0.038	2	119.6815	0.040	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Pd)(H)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Pd<4>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Pd)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(Cl){1|N<3>,2|H<1>}	119.7810	0.233	4	119.7810	0.054	4	119.6815	0.040	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Zn)(H)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(Cl){1|Cl<1>,1|Zn<4>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Zn)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)2(Cl){1|N<3>,2|H<1>}	119.6065	0.006	2	119.6065	0.000	2	119.6815	0.040	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.4790	0.266	2	120.4790	0.071	2	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)2(H){1|N<3>,2|H<1>}	121.0190	0.594	4	121.0190	0.353	4	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.3620	0.570	2	120.5755	0.095	6	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.6823	0.061	4	120.5755	0.095	6	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(H)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|Cu<5>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)2(H){1|H<1>,2|N<3>}	119.9000	0.000	1	119.9000	0.000	1	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Fe)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Fe)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.7140	0.209	2	120.7140	0.044	2	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.4183	0.309	21	119.4183	0.095	21	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]Cl)2(H){1|H<1>,1|N<2>,1|N<3>}	120.1160	0.000	1	120.4238	1.998	30	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)2(H){1|H<1>,2|N<3>}	120.2920	0.031	2	120.4238	1.998	30	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)2(H){1|N<3>,2|H<1>}	120.4450	1.491	27	120.4238	1.998	30	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	119.8195	0.452	6	120.1285	0.215	13	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.3933	0.286	7	120.1285	0.215	13	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Os)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Os)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.3305	0.302	2	121.3305	0.091	2	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Pd)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Pd)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.4129	0.781	28	120.4129	0.609	28	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Ru)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Ru)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.2780	0.000	1	120.2780	0.000	1	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Zn)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Zn)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.5935	0.297	6	120.5935	0.088	6	120.2590	0.905	116	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(Cl)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]Cl)(H)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(Cl){1|Cl<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]Cl)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(H){1|H<1>,2|N<3>}	122.7710	0.000	1	122.7710	0.000	1	122.7710	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:D-1:	C[6]-3:C[6]-3:D-1:	C[6]-3:C[6]-3:D-1:	C[6](C[6]C[6]D)2(D)	C[6](C[6]C[6]D)(C[6]N[6]D)(D)	C[6](C[6]C[6]D)(C[6]N[6]D)(D)	C[6](C[6]C[6]D)2(D){1|N<3>,2|D<1>}	C[6](C[6]C[6]D)(C[6]N[6]D)(D){1|C<3>,1|C<4>,1|D<1>}	C[6](C[6]C[6]D)(C[6]N[6]D)(D){1|C<3>,1|C<4>,1|D<1>}	117.3438	2.298	6	117.3438	5.280	6	117.3438	5.280	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:D-1:	C[6]-3:N[6]-3:D-1:	C[6]-3:C[6]-3:D-1:	C[6](C[6]C[6]D)(C[6]N[6]D)(D)	C[6](C[6]C[6]D)(N[6]C[6]C)(D)	C[6](C[6]C[6]D)2(D)	C[6](C[6]C[6]D)(C[6]N[6]D)(D){1|C<3>,1|C<4>,1|D<1>}	C[6](C[6]C[6]D)(N[6]C[6]C)(D){1|C<3>,2|D<1>}	C[6](C[6]C[6]D)2(D){1|N<3>,2|D<1>}	120.6274	2.296	12	120.6274	5.273	12	120.6274	5.273	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<3>,2|F<1>}	119.9805	0.668	6	119.9805	0.447	6	120.0457	1.068	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	C[6](C[6]C[6]F)2(F){1|N<3>,2|F<1>}	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Pt<4>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Pt<4>,1|C<3>,1|F<1>}	118.9027	0.672	3	118.7212	0.433	4	120.0457	1.068	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	C[6](C[6]C[6]F)2(F){1|N<3>,2|F<1>}	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Re<6>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Re<6>,1|C<3>,1|F<1>}	118.1770	0.000	1	118.7212	0.433	4	120.0457	1.068	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|C<2>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>}	121.2314	0.613	8	120.4119	0.848	20	120.0457	1.068	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>,1|O<1>}	119.3880	0.806	3	120.4119	0.848	20	120.0457	1.068	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|Al<4>,1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)2(F){1|Al<4>,1|C<3>,1|F<1>,1|H<1>}	119.8470	0.000	1	120.4119	0.848	20	120.0457	1.068	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|B<4>,1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)2(F){1|B<4>,1|C<3>,1|F<1>,1|H<1>}	120.0030	0.000	1	120.4119	0.848	20	120.0457	1.068	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|Cu<2>,1|Cu<3>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|Cu<2>,1|Cu<3>,1|C<3>,1|F<1>}	120.6210	0.280	2	120.4119	0.848	20	120.0457	1.068	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|U<10>,1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]F)2(F){1|U<10>,1|C<3>,1|F<1>,1|O<2>}	119.7165	0.489	2	120.4119	0.848	20	120.0457	1.068	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|U<12>,1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]F)2(F){1|U<12>,1|C<3>,1|F<1>,1|O<2>}	119.7945	0.975	2	120.4119	0.848	20	120.0457	1.068	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	C[6](C[6]C[6]F)2(F){2|Pt<3>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(F){2|Pt<3>,1|C<3>,1|F<1>}	120.1080	0.000	1	120.4119	0.848	20	120.0457	1.068	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]Zr)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|Zr<14>,1|C<4>,1|F<1>}	C[6](C[6]C[6]Zr)(C[6]C[6]F)(F){1|C<3>,1|C<4>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|Zr<14>,1|C<3>,1|C<4>,1|F<1>}	118.4110	0.000	1	118.4110	0.000	1	120.0457	1.068	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)2(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)2(O){1|C<3>,2|F<1>}	122.1835	0.598	38	122.1835	0.358	38	122.3346	0.516	44	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)2(O){1|C<3>,2|F<1>}	123.2920	0.720	6	123.2920	0.518	6	122.3346	0.516	44	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]Cl)(C[6]C[6]F)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(F){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	122.8803	0.910	4	122.8803	0.829	4	122.5216	0.785	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	122.7900	0.000	1	122.7900	0.000	1	122.5216	0.785	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]N[6])(C[6]C[6]F)(H)	C[6](C[6]C[6]F)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(F){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]F)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]F)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.4710	0.233	2	121.4710	0.054	2	122.5216	0.785	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6a]C[6])(C[6]C[6]F)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]F)(H)	C[6](C[6]C[6]H)2(F){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]F)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]F)(H){1|H<1>,1|O<1>,3|C<3>}	122.9200	0.000	1	122.9200	0.000	1	122.5216	0.785	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]F)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(F){1|H<1>,2|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(O){1|C<3>,2|H<1>}	123.6190	0.000	1	123.6190	0.000	1	123.6190	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]F)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	122.2670	0.000	1	122.2670	0.000	1	122.2670	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(F)	C[6](C[6]C[5a,6]H)(C[6]C[6]F)(H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]F)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(F){1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]F)(H){1|H<1>,4|C<3>}	123.5380	0.000	1	123.5380	0.000	1	123.5380	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]F)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]F)(H){1|H<1>,2|C<3>}	122.2956	0.387	5	122.2956	0.150	5	122.2595	0.128	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H){1|H<1>,2|C<3>}	122.0790	0.000	1	122.0790	0.000	1	122.2595	0.128	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(F){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<1>}	125.2090	0.008	2	125.2090	0.000	2	125.2090	0.000	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(F)	C[6](N[5,6]B[5,6,6]C[5,6])(C[6]C[6]F)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]F)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(F){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]B[5,6,6]C[5,6])(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]F)(H){1|H<1>,2|N<3>}	121.0330	0.000	1	121.0330	0.000	1	121.0330	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	C[6](N[6]C[6]Pt)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Pt<4>,1|C<3>,1|F<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|N<3>,2|F<1>}	118.6228	0.718	6	118.6228	0.515	6	118.6229	0.370	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]N[6]F)(F)	C[6](N[6]C[6]Re)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)(C[6]N[6]F)(F){1|Re<6>,1|C<3>,1|F<1>}	C[6](N[6]C[6]Re)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|N<3>,2|F<1>}	118.6230	0.100	2	118.6230	0.010	2	118.6229	0.370	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](N[6]C[6]Co)(C[6]C[6]F)(H)	C[6](C[6]C[6]C)(C[6]C[6]F)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Co<6>,2|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]F)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(H){1|N<3>,2|H<1>}	122.6900	0.000	1	122.6900	0.000	1	122.0050	0.557	7	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](N[6]C[6]Os)(C[6]C[6]F)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	123.1430	0.000	1	123.1430	0.000	1	122.0050	0.557	7	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	121.3343	0.250	3	121.3343	0.063	3	122.0050	0.557	7	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H)	C[6](C[6]C[6]F)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Zn<6>,1|C<3>,1|F<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]F)2(H){1|C<3>,1|H<1>,1|N<3>}	122.0995	0.288	2	122.0995	0.083	2	122.0050	0.557	7	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	As[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]As[6]H)(C[6]C[6]H)(H)	C[6](As[6]C[6]W)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]As[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](As[6]C[6]W)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|As<3>,2|H<1>}	125.2556	0.816	12	125.2556	0.666	12	125.2556	0.666	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](B[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](B[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|B<3>,1|C<3>,1|H<1>}	121.1645	0.177	2	121.5143	0.383	3	121.7788	0.918	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](B[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](B[6]C[6]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|B<3>,2|H<1>}	122.2140	0.000	1	121.5143	0.383	3	121.7788	0.918	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](B[6]C[6]P)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	C[6](B[6]C[6]P)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<3>,2|H<1>}	121.8640	0.534	4	121.8780	1.161	8	121.7788	0.918	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](B[6]C[6]P)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](B[6]C[6]P)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<3>,2|H<1>}	121.8920	1.557	4	121.8780	1.161	8	121.7788	0.918	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	C[6](C[6]N[3x6]C)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){2|Ge<3>,1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]N[3x6]C)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	121.2870	0.000	1	121.2870	0.000	1	119.5410	0.581	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	119.1860	0.000	1	119.0957	0.119	6	119.5410	0.581	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	119.3630	0.000	1	119.0957	0.119	6	119.5410	0.581	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H)	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[3x6]C[3x6]N[3x6])(C[6]C[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	119.0062	0.402	4	119.0957	0.119	6	119.5410	0.581	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[3x6]N[3x6]P[3x6])(C[6]C[6]H)(H)	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<3>}	C[6](C[3x6]N[3x6]P[3x6])(C[6]C[6]H)(H){1|As<3>,1|H<1>,3|C<3>}	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H){1|As<3>,1|C<3>,1|H<1>}	119.8497	0.230	3	119.8497	0.053	3	119.5410	0.581	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(H)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]H)(O)	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	122.5510	0.000	1	122.5510	0.000	1	122.5510	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	122.4900	0.677	2	121.9717	0.267	9	121.9717	0.267	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	121.9090	0.367	5	121.9717	0.267	9	121.9717	0.267	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	122.0100	0.000	1	121.9717	0.267	9	121.9717	0.267	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	121.2100	0.000	1	121.9717	0.267	9	121.9717	0.267	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]H)(H)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	121.4430	0.205	2	121.3257	0.062	3	121.4749	0.753	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]H)(H)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,3|H<1>}	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	121.0910	0.000	1	121.3257	0.062	3	121.4749	0.753	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<4>,2|N<3>}	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	121.8885	0.361	2	122.2570	0.473	3	121.4749	0.753	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<4>,2|N<3>}	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H){1|Si<4>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	122.9940	0.000	1	122.2570	0.473	3	121.4749	0.753	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H)	C[6](C[6]N[4,6]N)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){3|N<3>}	C[6](C[4,6]N[4,6]N[4])(C[6]C[6]H)(H){1|Si<4>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]N[4,6]N)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	122.4973	0.277	3	122.4973	0.077	3	121.4749	0.753	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[4,6]N[4,6]S[4])(C[6]C[6]H)(H)	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[4,6]N[4,6]S[4])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	120.6510	0.176	4	120.6472	0.033	6	121.4749	0.753	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[4,6]N[4,6]S[4])(C[6]C[6]H)(H)	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[4,6]N[4,6]S[4])(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	120.6395	0.267	2	120.6472	0.033	6	121.4749	0.753	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	121.5910	0.000	1	121.5910	0.000	1	121.5910	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(H){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl){1|Cl<1>,1|Re<6>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(Cl){1|Cl<1>,2|C<3>}	120.0310	0.000	1	120.0310	0.000	1	120.0310	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	120.3720	0.000	1	120.3720	0.000	1	120.3720	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(H)	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	120.3370	0.000	1	120.7563	0.163	3	120.1142	1.061	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(H)	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5,6]N[5,5,6]C[5,5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,2|N<3>}	120.9660	0.250	2	120.7563	0.163	3	120.1142	1.061	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	120.5880	0.813	2	120.7062	0.396	9	120.1142	1.061	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	120.7327	0.120	3	120.7062	0.396	9	120.1142	1.061	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>,2|C<3>}	120.9850	0.000	1	120.7062	0.396	9	120.1142	1.061	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	119.5550	0.000	1	120.7062	0.396	9	120.1142	1.061	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	121.2210	0.718	2	120.7062	0.396	9	120.1142	1.061	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<3>,3|H<1>}	120.2740	0.000	1	119.3081	0.936	9	120.1142	1.061	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	120.6300	0.000	1	119.3081	0.936	9	120.1142	1.061	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<3>,2|H<1>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|S<3>,2|H<1>}	119.9860	0.000	1	119.3081	0.936	9	120.1142	1.061	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<3>,2|C<3>}	118.6380	0.267	2	119.3081	0.936	9	120.1142	1.061	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]N[5,5,6]C[5])(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	118.9017	0.952	4	119.3081	0.936	9	120.1142	1.061	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[5,6]N[5,6,6]C[5])(C[6]C[6]H)(H)	C[6](C[6,6]N[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|N<3>,2|C<4>}	C[6](C[5,6]N[5,6,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6,6]N[5,6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	121.0380	0.000	1	121.0380	0.000	1	121.0380	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[5,6]H)(C[6]C[6]F)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(F)	C[6](C[6]C[5,6]H)(C[6]C[6]F)(H){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|F<1>,2|C<4>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(F){1|B<4>,1|C<3>,1|H<1>}	119.0720	0.000	1	119.0720	0.000	1	119.0720	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	119.1700	0.000	1	119.6877	0.389	4	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	119.8603	0.636	3	119.6877	0.389	4	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.5040	0.000	1	119.3800	0.031	2	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	119.2560	0.000	1	119.3800	0.031	2	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<4>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H){1|In<5>,1|C<3>,1|H<1>}	120.8362	0.534	4	120.8362	0.285	4	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6,6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	121.6380	0.000	1	121.6380	0.000	1	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	119.6920	0.000	1	119.9415	0.125	2	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6,6]N[5,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<4>,2|C<4>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	120.1910	0.000	1	119.9415	0.125	2	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	120.8090	0.000	1	120.6980	0.166	3	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	120.2460	0.000	1	120.6980	0.166	3	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Os<8>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Os<8>,1|C<3>,1|C<4>,1|H<1>}	121.0390	0.000	1	120.6980	0.166	3	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	120.9925	0.333	4	120.9746	0.085	5	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.9030	0.000	1	120.9746	0.085	5	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]C[6a])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<2>,2|C<3>}	120.0290	0.371	2	120.0290	0.137	2	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	120.8035	1.600	2	119.6043	0.319	67	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	119.7097	0.431	4	119.6043	0.319	67	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	119.5961	0.592	32	119.6043	0.319	67	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ge<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ge<2>,1|C<3>,1|H<1>}	119.6050	0.318	2	119.6043	0.319	67	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ge<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ge<4>,1|C<3>,1|H<1>}	120.0065	0.158	2	119.6043	0.319	67	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<6>}	119.9300	0.335	2	119.6043	0.319	67	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	119.8225	0.448	4	119.6043	0.319	67	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Nb<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	119.5430	0.416	2	119.6043	0.319	67	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	119.5118	0.297	4	119.6043	0.319	67	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Si<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	119.2664	0.219	13	119.6043	0.319	67	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	120.0220	0.537	2	120.3561	0.527	8	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H){1|In<5>,1|C<3>,1|H<1>}	119.5845	0.680	2	120.3561	0.527	8	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<4>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	120.7130	0.006	2	120.3561	0.527	8	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<4>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	121.1050	0.382	2	120.3561	0.527	8	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.9029	0.288	10	120.0323	0.259	11	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.3260	0.000	1	120.0323	0.259	11	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]N)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]N)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.9800	0.000	1	119.9800	0.000	1	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H){1|H<1>,1|P<2>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<2>}	120.1500	0.000	2	120.1720	0.001	3	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]2)(C[6]C[6]H)(H){1|H<1>,1|P<6>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<6>}	120.2160	0.000	1	120.1720	0.001	3	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.5860	0.000	1	119.9119	0.337	17	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.8590	0.000	1	119.9119	0.337	17	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	121.2380	0.000	1	119.9119	0.337	17	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	120.6380	0.000	1	119.9119	0.337	17	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.4390	0.000	1	119.9119	0.337	17	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<2>}	119.8215	0.793	2	119.9119	0.337	17	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	120.5220	0.000	1	119.9119	0.337	17	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	119.8125	0.023	2	119.9119	0.337	17	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	119.3030	0.354	3	119.9119	0.337	17	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.8915	0.404	2	119.9119	0.337	17	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|P<4>,3|H<1>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.6320	0.000	1	119.9119	0.337	17	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|B<4>,1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.6280	0.000	1	119.9119	0.337	17	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	120.3090	0.000	1	120.3090	0.000	1	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	119.0470	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.9140	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	120.6820	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	120.1240	0.134	2	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.0296	0.134	5	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.1880	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<2>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<2>}	120.6250	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<3>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	120.5350	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.4910	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0133	0.680	16	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	119.6790	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	119.4890	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	119.1488	0.491	4	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	119.2460	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	119.3000	2.121	2	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	119.7150	0.771	2	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	121.2647	0.277	4	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7318	0.268	11	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6970	0.641	5	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|P<4>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	121.1545	0.820	2	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<5>,1|C<3>,1|H<1>}	120.1740	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	119.5993	0.369	7	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	118.9530	0.549	2	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>}	119.2150	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Se<2>,1|C<3>,1|H<1>}	120.5540	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Se<2>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3590	0.106	2	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	120.1750	0.017	2	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	121.1370	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	120.0992	0.418	4	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.2920	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<6>,1|C<3>,1|C<5>,3|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	120.7180	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|B<6>,1|C<3>,1|C<6>,3|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	120.3500	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.2400	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.2600	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9200	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.9360	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	120.0010	0.375	2	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	119.5930	0.093	2	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	119.2764	0.148	5	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7183	0.096	3	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|N<4>,3|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	119.8430	0.709	2	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	119.1880	0.470	2	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	119.4990	0.247	2	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	119.4467	0.276	8	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.2280	0.000	1	119.9321	0.569	118	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	120.8610	0.028	2	120.8610	0.001	2	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.3855	0.356	2	120.9916	0.927	13	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.6100	0.000	1	120.9916	0.927	13	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	119.5520	0.000	1	120.9916	0.927	13	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.3043	0.162	3	120.9916	0.927	13	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7260	0.000	1	120.9916	0.927	13	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7580	0.000	1	120.9916	0.927	13	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7280	0.000	1	120.9916	0.927	13	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.6550	0.000	1	120.9916	0.927	13	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5890	1.796	2	120.9916	0.927	13	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.9995	0.111	2	120.9995	0.012	2	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cl<1>,1|N<3>,1|O<2>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[5,6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.1808	0.235	6	121.1808	0.055	6	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.2020	0.000	1	120.9783	0.179	6	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.6363	0.286	3	120.9783	0.179	6	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	121.3795	0.083	2	120.9783	0.179	6	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<2>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.6830	0.000	2	119.7727	0.500	7	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<2>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|P<2>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0190	0.000	1	119.7727	0.500	7	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<2>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|P<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3523	0.324	3	119.7727	0.500	7	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>}	C[6](C[5,6]N[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|F<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9670	0.000	1	119.7727	0.500	7	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H){1|Ge<2>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	120.2730	0.000	1	119.6360	0.812	2	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[5,6]N[5,6]S[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.9990	0.000	1	119.6360	0.812	2	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]Se[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Se<2>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]Se[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.1820	0.000	1	120.1820	0.000	1	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	119.3757	0.193	3	119.0829	0.243	7	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	118.6500	0.854	2	119.0829	0.243	7	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]Si[5])(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	119.0765	0.149	2	119.0829	0.243	7	119.9946	0.619	295	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	121.9170	0.000	1	121.9170	0.000	1	121.9170	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[5,6]H)(H){1|C<4>,2|C<3>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	118.6890	0.000	1	118.6890	0.000	1	118.6890	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[5,6]H)(C[6]N[6]Cl)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Al)(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]H)(C[6]N[6]Cl)(H){1|Al<5>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]Al)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	119.1590	0.000	1	119.1590	0.000	1	119.1590	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|N<3>,1|N<4>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.6010	0.000	1	119.6010	0.000	1	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[5,6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.2090	0.000	1	121.2090	0.000	1	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ag<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]Ag)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5585	0.141	2	120.5585	0.020	2	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3840	0.229	2	120.3840	0.052	2	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.2839	0.535	8	121.2839	0.286	8	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Cu<3>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.6805	0.066	2	121.6326	0.309	13	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.5080	0.000	1	121.6326	0.309	13	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.6075	0.753	6	121.6326	0.309	13	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.6775	0.529	4	121.6326	0.309	13	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0440	0.000	1	120.3205	0.153	2	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5970	0.000	1	120.3205	0.153	2	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.5380	0.638	2	121.5380	0.407	2	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[5,6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7915	0.218	2	121.1683	0.200	7	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.1187	0.306	3	121.1683	0.200	7	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[5,6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.6195	0.517	2	121.1683	0.200	7	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.4290	0.000	1	119.7329	0.356	7	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Pd<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2560	0.000	1	119.7329	0.356	7	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4890	0.520	5	119.7329	0.356	7	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[5,6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.4525	0.073	2	121.4525	0.005	2	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Rh<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.4120	0.000	1	122.0733	0.415	11	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Rh<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.9460	0.317	2	122.0733	0.415	11	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Rh<6>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.4545	0.357	4	122.0733	0.415	11	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Rh<6>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[5,6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.1710	0.290	4	122.0733	0.415	11	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.5540	0.219	2	122.2071	0.640	19	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.6960	0.692	2	122.2071	0.640	19	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1910	0.000	1	122.2071	0.640	19	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.0885	0.681	4	122.2071	0.640	19	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.6035	0.252	2	122.2071	0.640	19	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Ru<8>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.3655	0.507	2	122.2071	0.640	19	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<8>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[5,6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.8252	0.387	6	122.2071	0.640	19	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Zn<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.3970	0.235	2	121.3697	1.764	4	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[5,6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3425	1.008	2	121.3697	1.764	4	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.9623	0.739	3	120.9623	0.546	3	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	120.4140	0.204	3	120.4140	0.041	3	121.3962	0.959	87	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	121.2350	0.000	1	121.2350	0.000	1	121.4845	0.067	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	121.5344	0.255	5	121.5344	0.065	5	121.4845	0.067	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	123.2748	0.365	9	123.2748	0.133	9	123.2969	0.851	17	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	123.3250	0.000	1	123.3250	0.000	1	123.2969	0.851	17	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	123.3440	0.000	1	123.5297	0.072	3	123.2969	0.851	17	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	123.4080	0.000	1	123.5297	0.072	3	123.2969	0.851	17	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a,6]N[5a,5a,6]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	123.8370	0.000	1	123.5297	0.072	3	123.2969	0.851	17	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	124.0240	0.670	2	122.7537	5.066	3	123.2969	0.851	17	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|Se<3>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|Se<3>,1|C<3>,1|N<3>,2|H<1>}	120.2130	0.000	1	122.7537	5.066	3	123.2969	0.851	17	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)2(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	124.3990	0.000	1	124.3990	0.000	1	123.2969	0.851	17	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6,6a]H)(H)	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]N[5a,6,6a]C[6a,6a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6,6a]H)(H){1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6,6a]C[5a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]N[5a,6,6a]C[6a,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.2780	0.000	1	121.2780	0.000	1	121.2780	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]F)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(F)	C[6](C[6]C[5a,6]H)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|F<1>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(F){1|H<1>,2|C<3>}	118.6140	0.000	1	118.6140	0.000	1	118.6140	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	120.3445	0.585	2	120.3417	0.071	7	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	120.3406	0.144	5	120.3417	0.071	7	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	120.1320	0.557	2	120.4717	0.501	3	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]C[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	121.1510	0.000	1	120.4717	0.501	3	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,5a]N[5a,6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5a,6]N[5a,5a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	120.9130	0.000	1	120.9130	0.000	1	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]2)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]2)(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.6875	0.200	2	120.6875	0.040	2	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	118.5620	0.000	1	118.5620	0.000	1	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|S<2>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	120.1320	0.000	1	120.5081	0.325	12	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.4575	0.062	2	120.5081	0.325	12	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5611	0.652	9	120.5081	0.325	12	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.3740	0.000	1	121.3258	1.575	11	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.8410	0.000	1	121.3258	1.575	11	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7220	0.341	2	121.3258	1.575	11	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.6880	1.923	3	121.3258	1.575	11	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7152	0.271	4	121.3258	1.575	11	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5a,6]N[5a,6a]N[5a,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	121.2560	0.331	4	121.2560	0.110	4	120.7405	0.818	41	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5a,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	122.1925	0.371	2	122.1925	0.138	2	122.1925	0.138	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|B<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.4810	0.000	1	120.6730	0.074	2	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|B<5>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.8650	0.000	1	120.6730	0.074	2	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.6861	0.367	7	120.6265	0.144	8	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.2090	0.000	1	120.6265	0.144	8	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	121.2390	0.000	1	120.5448	0.175	5	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.3713	0.181	4	120.5448	0.175	5	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.0215	0.241	2	120.5902	0.269	4	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ir<7>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.1590	0.064	2	120.5902	0.269	4	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Li<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](N[6]C[5a,6]Li)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	119.9090	0.000	1	120.1490	0.054	8	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Li<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Li)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.1833	0.229	7	120.1490	0.054	8	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.6535	0.701	14	120.6535	0.492	14	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.2850	0.667	24	120.3178	0.406	28	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pt<5>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.8500	0.103	2	120.3178	0.406	28	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Pt<6>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.1790	0.290	2	120.3178	0.406	28	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Rh<4>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.3540	0.269	3	120.5813	0.256	22	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Rh<5>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.1485	0.281	2	120.5813	0.256	22	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Rh<5>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[5a,6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.9577	0.329	3	120.5813	0.256	22	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Rh<7>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.4735	0.226	10	120.5813	0.256	22	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Rh<8>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.9555	0.398	4	120.5813	0.256	22	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ru<7>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.9047	0.383	15	120.9027	0.157	22	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ru<8>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.1265	0.465	4	120.9027	0.157	22	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5a,6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.5943	0.237	3	120.9027	0.157	22	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[5a,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.6340	0.000	1	121.6340	0.000	1	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(H)	C[6](N[6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](N[6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	121.3690	0.000	1	121.3690	0.000	1	120.5768	0.321	115	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.7200	0.000	1	122.7200	0.000	1	122.4815	0.114	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	122.2430	0.000	1	122.2430	0.000	1	122.4815	0.114	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]Cl)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(Cl)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Cl<1>,2|C<3>}	119.0140	0.000	1	119.0140	0.000	1	119.0140	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)2(H)	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	120.4272	0.312	6	120.4870	0.106	7	120.6099	0.107	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)2(H)	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[6](C[6,6]C[6,6a]N[3x6])(C[6]C[6]H)(H){1|H<1>,1|P<3>,3|C<3>}	120.8460	0.000	1	120.4870	0.106	7	120.6099	0.107	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)2(H)	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H)	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)2(H){1|N<3>,2|N<2>}	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	120.8250	0.218	4	120.8250	0.048	4	120.6099	0.107	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.8720	0.272	2	122.1287	1.694	3	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.6420	0.000	1	122.1287	1.694	3	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	119.3470	0.000	1	119.3470	0.000	1	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[5a,6]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.5850	0.000	1	119.5850	0.000	1	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Zr<11>,1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]C[5])(C[6]C[6]H)(H){1|Zr<11>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	120.1430	0.000	1	120.1430	0.000	1	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Rh<7>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Rh<7>,1|C<3>,1|C<4>,1|H<1>}	119.7180	0.000	1	119.6680	0.005	2	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Zr<14>,1|C<5>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Zr<14>,1|C<3>,1|H<1>,1|N<3>}	119.6180	0.000	1	119.6680	0.005	2	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8060	0.000	1	120.1785	0.278	2	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.5510	0.000	1	120.1785	0.278	2	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Os<8>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Os<8>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]Os)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	123.4085	1.125	2	123.4085	1.266	2	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.0349	1.063	20	120.0214	1.000	23	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	119.6965	0.411	2	120.0214	1.000	23	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.4010	0.000	1	120.0214	1.000	23	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.8910	0.867	2	120.8910	0.752	2	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]S)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]N[6,6]S)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.5050	0.000	1	119.5050	0.000	1	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.4935	0.528	2	119.9520	0.384	5	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.2577	0.527	3	119.9520	0.384	5	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.0745	0.507	2	119.2553	0.146	20	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.3178	0.382	13	119.2553	0.146	20	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.3807	0.300	3	119.2553	0.146	20	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8420	0.293	2	119.2553	0.146	20	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.8400	0.000	1	119.5530	0.165	2	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6,6]N[5a,6]N[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2660	0.000	1	119.5530	0.165	2	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.5440	0.173	2	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.8921	0.427	10	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.7730	0.000	1	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.4360	0.000	1	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.9210	0.061	2	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.8091	0.366	15	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.4826	0.264	16	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.0340	0.000	1	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ge<4>,1|Si<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<4>,1|C<3>,1|H<1>}	119.7613	0.157	4	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6120	0.000	1	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Nb<6>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	119.1170	0.000	1	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	118.6879	0.301	9	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	120.4790	0.000	1	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.4315	0.196	2	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<3>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	118.0750	0.000	1	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.0850	0.000	1	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ga<4>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	119.2385	0.005	2	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|Ga<5>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	119.2310	0.410	2	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|In<6>,2|C<3>,3|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	119.2860	0.371	2	119.4720	0.299	74	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Cl<1>,1|N<2>,1|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6,6]Cl)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.7610	0.000	1	119.7610	0.000	1	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.7306	0.410	13	119.8114	0.385	26	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.6950	0.000	1	119.8114	0.385	26	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.9300	0.530	2	119.8114	0.385	26	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|Ge<3>,1|H<1>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	119.7053	0.362	3	119.8114	0.385	26	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|N<4>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.0130	0.000	1	119.8114	0.385	26	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.5565	0.715	2	119.8114	0.385	26	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.4235	0.487	2	119.8114	0.385	26	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	118.9770	0.013	2	119.8114	0.385	26	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]O[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6,6]N[6,6]O[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	120.3440	0.000	1	120.3440	0.000	1	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]S[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6,6]N[6,6]S[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.1700	0.000	1	118.1700	0.000	1	119.7144	0.755	168	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|P<4>}	121.7210	0.000	1	121.7210	0.000	1	120.9618	0.792	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	122.0280	0.000	1	120.8100	0.817	5	120.9618	0.792	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	120.0475	0.750	2	120.8100	0.817	5	120.9618	0.792	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|O<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	120.9635	0.104	2	120.8100	0.817	5	120.9618	0.792	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]N[5,6]O)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]N[5,6]O)(H){1|C<4>,2|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6a])(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	122.2790	0.000	1	122.2790	0.000	1	122.2790	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|C<4>}	C[6](C[6,6]C[5,5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|N<3>}	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2840	0.834	4	119.2840	0.696	4	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8770	0.000	1	118.8770	0.000	1	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8150	0.000	1	118.5963	0.090	3	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.2550	0.000	1	118.5963	0.090	3	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.7190	0.000	1	118.5963	0.090	3	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.5823	0.408	4	119.5823	0.166	4	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6,6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2540	0.000	1	119.2540	0.000	1	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6787	0.190	3	119.6787	0.036	3	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Cu<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.8160	0.000	1	119.3819	1.066	7	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.9570	0.000	1	119.3819	1.066	7	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0760	0.092	2	119.3819	1.066	7	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1445	0.255	2	119.3819	1.066	7	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.4590	0.000	1	119.3819	1.066	7	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.0300	0.000	1	118.9240	0.276	7	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.7760	0.000	1	118.9240	0.276	7	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1324	0.392	5	118.9240	0.276	7	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Hg<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]Hg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7873	0.764	4	118.7873	0.583	4	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4084	1.045	9	119.1301	1.399	12	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.4260	0.000	1	119.1301	1.399	12	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ir<8>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.8430	0.000	1	119.1301	1.399	12	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ir<8>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6160	0.000	1	119.1301	1.399	12	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6,6]Mg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	117.5855	0.873	2	118.3102	1.005	4	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]Mg)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.0350	0.389	2	118.3102	1.005	4	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0127	1.171	4	118.9382	1.057	5	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Mn<7>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6400	0.000	1	118.9382	1.057	5	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ni<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.5180	0.000	1	118.8933	0.385	10	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2420	0.543	5	118.8933	0.385	10	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.5512	0.597	4	118.8933	0.385	10	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.1930	0.000	1	119.9127	0.086	3	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.7725	0.234	2	119.9127	0.086	3	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Os<9>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1670	0.000	1	120.1670	0.000	1	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6,6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9927	0.426	3	119.2473	2.582	7	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.4382	2.220	4	119.2473	2.582	7	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6,6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2625	0.250	2	120.1467	0.508	4	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0310	1.187	2	120.1467	0.508	4	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Re<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.0000	0.000	1	117.6710	1.829	3	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	117.0065	1.005	2	117.6710	1.829	3	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Rh<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2720	0.499	4	119.3542	0.249	6	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Rh<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.9740	0.000	1	119.3542	0.249	6	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Rh<8>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0630	0.000	1	119.3542	0.249	6	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.9931	0.796	18	119.3926	0.877	28	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.9880	0.000	1	119.3926	0.877	28	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.2523	0.768	3	119.3926	0.877	28	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5440	0.000	1	119.3926	0.877	28	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2620	0.000	1	119.3926	0.877	28	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3760	0.000	1	119.3926	0.877	28	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ru<7>,1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.4370	0.000	1	119.3926	0.877	28	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<8>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.6690	0.000	1	119.3926	0.877	28	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0830	0.000	1	119.3926	0.877	28	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[6]C[6,6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.4473	1.022	6	118.5237	0.912	7	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9820	0.000	1	118.5237	0.912	7	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|Yb<12>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3130	1.024	2	120.1270	0.423	4	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|Yb<13>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9410	0.284	2	120.1270	0.423	4	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3720	0.000	1	120.3720	0.000	1	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Mn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.3580	0.000	1	120.3580	0.000	1	119.2030	0.956	130	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	122.4370	0.000	1	122.4370	0.000	1	122.4370	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|Br<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|O<1>}	120.5720	0.000	1	120.5720	0.000	1	120.2165	0.253	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O){1|Br<1>,1|C<3>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|O<1>}	119.8610	0.000	1	119.8610	0.000	1	120.2165	0.253	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	122.0140	1.451	2	122.0140	2.105	2	121.2344	0.792	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]H)(O){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	121.8700	0.000	2	121.8700	0.000	2	121.2344	0.792	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	119.6510	0.000	1	119.6510	0.000	1	121.2344	0.792	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	120.8645	0.054	2	121.0412	0.027	5	121.2344	0.792	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	121.1510	0.000	2	121.0412	0.027	5	121.2344	0.792	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	121.1750	0.000	1	121.0412	0.027	5	121.2344	0.792	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(O){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.0280	0.000	1	122.0280	0.000	1	121.2344	0.792	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	120.1600	0.000	1	120.1600	0.000	1	121.2344	0.792	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:Br-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]Br)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Br)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]Br)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Br){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|Br<1>,2|C<3>}	118.7038	0.578	6	118.7038	0.334	6	118.7038	0.334	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]Cl)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]Cl)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	120.3770	0.000	1	120.3770	0.000	1	120.3770	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]Cl)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]Cl)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|Cl<1>,2|C<3>}	119.7100	0.804	6	119.7100	0.647	6	119.7100	0.647	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	123.3870	0.000	1	122.4609	0.522	9	122.4609	0.522	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	121.9880	0.000	1	122.4609	0.522	9	122.4609	0.522	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	121.5780	0.000	1	122.4609	0.522	9	122.4609	0.522	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	122.7720	0.352	3	122.4609	0.522	9	122.4609	0.522	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	121.2480	0.000	1	122.4609	0.522	9	122.4609	0.522	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	122.8155	0.231	2	122.4609	0.522	9	122.4609	0.522	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6a]N[6,6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6a]C[5,6a]N[6,6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5440	0.000	1	119.5440	0.000	1	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.6410	0.282	4	121.6410	0.079	4	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6a]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	118.2180	0.000	1	118.2180	0.000	1	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.6620	0.000	1	119.6620	0.000	1	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0220	0.000	1	119.3328	0.462	9	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|Ge<3>,1|Si<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	119.5310	0.000	1	119.3328	0.462	9	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1640	0.000	1	119.3328	0.462	9	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.4600	0.000	1	119.3328	0.462	9	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9636	0.478	5	119.3328	0.462	9	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|Ru<7>,1|C<3>,1|N<4>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|Ru<7>,2|H<1>,3|C<3>}	C[6](C[6]N[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.8000	0.000	1	121.8000	0.000	1	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7000	0.000	1	119.1633	0.194	3	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2140	0.000	1	119.1633	0.194	3	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5760	0.000	1	119.1633	0.194	3	119.8637	1.451	20	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	120.8280	0.000	1	121.3167	0.158	67	121.2749	0.427	139	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	121.3091	0.380	65	121.3167	0.158	67	121.2749	0.427	139	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	122.2950	0.000	1	121.3167	0.158	67	121.2749	0.427	139	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6,6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6,6])(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|C<4>}	122.0720	0.000	1	122.0720	0.000	1	121.2749	0.427	139	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O){1|N<2>,2|H<1>,3|C<3>}	119.7140	0.000	1	119.9932	3.323	6	121.2749	0.427	139	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	120.0490	2.032	5	119.9932	3.323	6	121.2749	0.427	139	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	122.1910	0.471	5	122.1910	0.222	5	121.2749	0.427	139	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	121.2675	0.129	2	120.6750	0.578	4	121.2749	0.427	139	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	120.0825	0.561	2	120.6750	0.578	4	121.2749	0.427	139	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	121.3454	0.449	53	121.3454	0.202	53	121.2749	0.427	139	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	119.7920	0.000	1	120.6697	0.578	3	121.2749	0.427	139	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	121.1085	0.018	2	120.6697	0.578	3	121.2749	0.427	139	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6,6a]Ge[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Ge<2>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5,6]C[5,6,6a]Ge[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	120.0850	0.000	1	120.0850	0.000	1	120.0850	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.1090	0.000	1	120.8298	4.604	36	120.8298	4.604	36	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	120.4890	0.000	1	120.8298	4.604	36	120.8298	4.604	36	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	116.4130	8.019	2	120.8298	4.604	36	120.8298	4.604	36	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	120.4370	0.322	6	120.8298	4.604	36	120.8298	4.604	36	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	121.3225	1.477	24	120.8298	4.604	36	120.8298	4.604	36	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	120.5425	0.153	2	120.8298	4.604	36	120.8298	4.604	36	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|B<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	118.8820	0.000	1	118.8820	0.000	1	119.8054	0.515	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6,6a]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6,6a]C[5,6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	119.3620	0.000	1	119.3620	0.000	1	119.8054	0.515	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	119.8754	0.767	8	119.8842	0.516	9	119.8054	0.515	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	119.9550	0.000	1	119.8842	0.516	9	119.8054	0.515	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6,6a]O[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6,6a]O[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,2|C<3>}	120.4630	0.000	1	120.4630	0.000	1	119.8054	0.515	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6,6a]H)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6a]H)(H){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.9540	0.000	1	119.9540	0.000	1	119.9540	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]H)(C[6]N[6]Cl)(H){1|Co<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	118.4830	0.472	2	118.4830	0.223	2	118.2661	0.854	7	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]H)(C[6]N[6]Cl)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	118.1190	0.000	1	118.1190	0.000	1	118.2661	0.854	7	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]H)(C[6]N[6]Cl)(H){1|Zn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	118.1945	1.260	4	118.1945	1.588	4	118.2661	0.854	7	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6110	0.000	1	118.6110	0.000	1	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.4150	0.000	1	120.4150	0.000	1	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9968	0.595	6	119.2864	0.227	14	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5250	0.191	6	119.2864	0.227	14	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4390	0.337	2	119.2864	0.227	14	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8503	1.046	16	119.8503	1.094	16	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8930	0.000	1	118.7990	0.308	3	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7520	0.776	2	118.7990	0.308	3	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3700	0.243	3	120.3700	0.059	3	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0550	0.240	2	120.1020	1.054	6	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.4450	0.680	2	120.1020	1.054	6	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.8060	1.153	2	120.1020	1.054	6	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7900	0.000	1	119.0015	0.089	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2130	0.000	1	119.0015	0.089	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4280	0.000	1	119.4030	0.001	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3780	0.000	1	119.4030	0.001	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1533	0.104	3	119.4419	0.142	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3017	0.266	3	119.4419	0.142	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0115	0.039	2	119.4419	0.142	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6155	0.094	2	119.4419	0.142	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3420	0.595	2	119.4419	0.142	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5663	0.551	21	119.6273	0.318	30	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7694	0.599	9	119.6273	0.318	30	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1950	0.322	2	119.1615	0.165	4	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1280	0.622	2	119.1615	0.165	4	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Hg<4>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3850	0.000	1	120.5695	0.068	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Hg<4>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7540	0.000	1	120.5695	0.068	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7908	0.434	5	119.9523	0.135	10	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1138	0.222	5	119.9523	0.135	10	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3060	0.355	5	119.3940	0.215	10	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4820	0.582	5	119.3940	0.215	10	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7375	0.047	2	119.5138	0.108	4	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2900	0.348	2	119.5138	0.108	4	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1530	0.000	1	120.2220	2.286	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.2910	0.000	1	120.2220	2.286	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7435	0.841	2	119.8020	0.347	5	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8410	0.579	3	119.8020	0.347	5	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5375	0.566	2	119.5375	0.321	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0235	0.634	2	120.0235	0.402	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ag<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.2170	0.000	1	118.8427	0.341	19	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ag<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3045	0.626	4	118.8427	0.341	19	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ag<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7901	0.532	12	118.8427	0.341	19	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ag<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.5480	0.629	2	118.8427	0.341	19	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Al<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1197	0.531	3	119.4076	0.181	14	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Al<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4880	0.578	3	119.4076	0.181	14	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Al<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4855	0.338	8	119.4076	0.181	14	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Au)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Au<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Au)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5770	0.000	1	120.7375	0.052	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Au)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Au<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Au)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.8980	0.000	1	120.7375	0.052	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|B<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]B)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7670	0.407	4	118.7670	0.166	4	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ba)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ba<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ba)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8875	0.996	8	118.8875	0.991	8	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Bi<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1122	0.779	6	119.1122	0.608	6	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5657	0.052	3	119.1212	0.642	53	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0945	0.818	50	119.1212	0.642	53	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ca)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ca<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ca)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7523	0.418	4	118.8347	0.280	8	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ca)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ca<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ca)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9172	0.679	4	118.8347	0.280	8	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cd<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0940	0.575	4	119.0266	0.461	125	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9410	0.000	1	119.0266	0.461	125	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9817	0.726	98	119.0266	0.461	125	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cd<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2223	0.467	19	119.0266	0.461	125	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cd<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1930	0.209	3	119.0266	0.461	125	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cm)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cm<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cm)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7000	0.675	2	118.7000	0.455	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0984	0.476	13	119.5224	0.716	402	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6060	0.340	8	119.5224	0.716	402	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4902	0.929	12	119.5224	0.716	402	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.8105	0.902	2	119.5224	0.716	402	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4989	0.870	339	119.5224	0.716	402	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9440	0.526	26	119.5224	0.716	402	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3415	0.063	2	119.5224	0.716	402	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cr<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3500	0.000	1	119.3425	0.374	69	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cr<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3603	0.626	61	119.3425	0.374	69	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cr<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1864	0.531	7	119.3425	0.374	69	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5805	0.461	15	119.5320	0.668	600	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7630	0.881	2	119.5320	0.668	600	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3820	0.000	1	119.5320	0.668	600	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7270	0.000	1	119.5320	0.668	600	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2313	0.917	196	119.5320	0.668	600	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6688	0.229	8	119.5320	0.668	600	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7249	0.729	344	119.5320	0.668	600	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2671	0.678	33	119.5320	0.668	600	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Eu<13>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Eu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8392	0.555	4	118.8536	0.346	14	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Eu<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Eu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8594	0.630	10	118.8536	0.346	14	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	119.5730	0.215	2	119.7836	0.534	515	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7265	0.035	2	119.7836	0.534	515	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2300	0.805	2	119.7836	0.534	515	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6594	0.462	5	119.7836	0.534	515	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2740	0.317	2	119.7836	0.534	515	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	118.8480	0.000	1	119.7836	0.534	515	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3912	0.154	6	119.7836	0.534	515	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7897	0.736	492	119.7836	0.534	515	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5470	0.509	2	119.7836	0.534	515	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8340	0.000	1	119.7836	0.534	515	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	118.9184	0.514	9	119.2358	0.377	219	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2996	0.204	5	119.2358	0.377	219	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2937	0.799	3	119.2358	0.377	219	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5070	0.000	1	119.2358	0.377	219	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2945	0.134	2	119.2358	0.377	219	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6174	0.664	5	119.2358	0.377	219	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2619	0.618	194	119.2358	0.377	219	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3337	0.720	4	119.7746	0.662	74	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	119.3400	0.568	3	119.7746	0.662	74	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1535	0.540	4	119.7746	0.662	74	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7155	0.235	2	119.7746	0.662	74	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4937	0.452	3	119.7746	0.662	74	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8530	0.953	2	119.7746	0.662	74	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9161	0.779	37	119.7746	0.662	74	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	119.2800	0.000	1	119.7746	0.662	74	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8965	0.245	6	119.7746	0.662	74	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.6220	0.000	1	119.7746	0.662	74	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5965	1.231	11	119.7746	0.662	74	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Li<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Li)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2452	0.386	5	119.2452	0.149	5	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mg<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3640	0.000	1	119.3341	0.108	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mg<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3314	0.345	11	119.3341	0.108	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5520	0.689	10	119.1558	0.349	358	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9740	0.000	1	119.1558	0.349	358	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8940	0.000	1	119.1558	0.349	358	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0495	0.059	2	119.1558	0.349	358	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1350	0.000	1	119.1558	0.349	358	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1445	0.596	323	119.1558	0.349	358	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mn<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1232	0.432	20	119.1558	0.349	358	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mo<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7832	0.594	24	119.7627	0.332	26	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mo<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5165	0.221	2	119.7627	0.332	26	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]N)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]N)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6160	0.000	1	118.6160	0.000	1	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ni<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5558	0.696	31	119.3488	1.206	433	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ni<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9050	0.000	1	119.3488	1.206	433	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ni<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3997	0.644	6	119.3488	1.206	433	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0653	0.646	6	119.3488	1.206	433	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9285	0.002	2	119.3488	1.206	433	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3305	1.148	379	119.3488	1.206	433	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ni<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3735	0.367	8	119.3488	1.206	433	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.4248	0.803	20	120.3082	0.712	24	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7253	0.911	4	120.3082	0.712	24	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Os<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2190	0.000	1	120.1098	1.009	55	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Os<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.4430	0.000	1	120.1098	1.009	55	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Os<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.4750	0.000	1	120.1098	1.009	55	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Os<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0646	1.080	45	120.1098	1.009	55	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Os<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8610	0.000	1	120.1098	1.009	55	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Os<9>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1888	0.461	6	120.1098	1.009	55	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	118.7584	0.812	5	119.6754	0.796	193	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.3945	0.534	2	119.6754	0.796	193	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2740	0.000	1	119.6754	0.796	193	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0787	1.835	12	119.6754	0.796	193	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7597	0.761	146	119.6754	0.796	193	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pd<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7302	0.839	18	119.6754	0.796	193	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pd<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4384	0.931	7	119.6754	0.796	193	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pd<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2080	0.239	2	119.6754	0.796	193	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	118.4290	0.000	1	119.9168	1.020	212	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7250	0.229	2	119.9168	1.020	212	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2557	0.144	3	119.9168	1.020	212	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7790	0.550	3	119.9168	1.020	212	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1830	0.001	2	119.9168	1.020	212	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.9933	0.451	3	119.9168	1.020	212	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9854	1.049	150	119.9168	1.020	212	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pt<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5335	0.756	22	119.9168	1.020	212	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pt<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5573	0.916	26	119.9168	1.020	212	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2340	0.252	2	119.7878	0.542	130	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6965	0.784	2	119.7878	0.542	130	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6075	0.320	4	119.7878	0.542	130	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7879	0.752	122	119.7878	0.542	130	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Rh<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4580	0.000	1	119.5457	0.327	29	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Rh<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5117	0.116	6	119.5457	0.327	29	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Rh<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	119.3820	0.000	1	119.5457	0.327	29	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Rh<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3826	0.549	7	119.5457	0.327	29	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Rh<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8117	0.628	7	119.5457	0.327	29	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Rh<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8880	0.000	1	119.5457	0.327	29	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Rh<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4443	0.896	6	119.5457	0.327	29	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.3490	0.217	4	119.8656	1.045	159	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	119.0853	0.783	4	119.8656	1.045	159	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0010	1.121	2	119.8656	1.045	159	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6390	0.000	1	119.8656	1.045	159	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8570	0.000	1	119.8656	1.045	159	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9458	1.014	134	119.8656	1.045	159	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7950	0.000	1	119.8656	1.045	159	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5707	1.365	3	119.8656	1.045	159	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.6270	0.000	1	119.8656	1.045	159	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5649	0.683	8	119.8656	1.045	159	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sb)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sb<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Sb)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3610	0.122	2	119.5435	0.348	6	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sb)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sb<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Sb)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6347	0.736	4	119.5435	0.348	6	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Si<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Si)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1020	0.000	1	120.1020	0.000	1	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sm<11>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Sm)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9480	0.351	4	118.8523	0.936	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sm<13>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Sm)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1020	1.062	4	118.8523	0.936	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sm<9>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Sm)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.5067	1.387	4	118.8523	0.936	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sn<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0375	0.011	2	119.3856	0.140	41	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1956	0.160	5	119.3856	0.140	41	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7480	0.546	2	119.3856	0.140	41	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4189	0.386	31	119.3856	0.140	41	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sn<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2740	0.000	1	119.3856	0.140	41	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sr<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Sr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9575	0.405	2	118.9977	0.059	4	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sr<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Sr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0380	0.079	2	118.9977	0.059	4	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]U)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|U<10>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]U)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4795	0.838	2	119.4795	0.702	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]V)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|V<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]V)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5018	0.488	4	119.5035	0.111	10	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]V)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|V<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]V)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2245	0.028	2	119.5035	0.111	10	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]V)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|V<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]V)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5345	0.008	2	119.5035	0.111	10	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]V)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|V<9>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]V)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7550	0.038	2	119.5035	0.111	10	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]W)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|W<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]W)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8046	0.548	8	118.8046	0.300	8	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zn<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.5920	0.455	2	119.2383	0.410	235	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zn<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	118.9015	0.487	2	119.2383	0.410	235	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zn<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6442	0.643	6	119.2383	0.410	235	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zn<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	116.8120	0.782	2	119.2383	0.410	235	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zn<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1555	0.434	16	119.2383	0.410	235	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6540	0.000	1	119.2383	0.410	235	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7650	0.000	1	119.2383	0.410	235	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2654	0.646	83	119.2383	0.410	235	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9293	0.434	6	119.2383	0.410	235	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2761	0.587	116	119.2383	0.410	235	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3570	0.230	3	120.3570	0.053	3	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9310	0.045	2	119.9310	0.002	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2657	0.140	3	119.7706	0.739	5	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0280	1.039	2	119.7706	0.739	5	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0900	0.000	1	120.0175	0.011	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9450	0.000	1	120.0175	0.011	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zr<10>,1|C<3>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6280	0.000	1	119.6280	0.000	1	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ag<4>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1080	0.443	4	119.1080	0.196	4	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Al<4>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8710	0.000	1	118.8710	0.000	1	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Bi<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.5725	0.484	4	118.5725	0.234	4	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6185	0.172	2	118.6185	0.030	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1815	0.108	2	119.1815	0.012	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<5>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8520	0.242	2	119.3949	0.502	20	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5166	0.743	16	119.3949	0.502	20	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Co<7>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9645	0.094	2	119.3949	0.502	20	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cr<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7832	0.373	4	119.7832	0.139	4	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3579	0.329	12	119.3233	0.221	24	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1345	0.076	2	119.3233	0.221	24	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3195	0.650	10	119.3233	0.221	24	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Eu<13>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Eu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5103	0.413	3	119.5103	0.170	3	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2244	0.668	14	119.2244	0.446	14	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0808	0.366	6	119.1344	0.169	8	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2950	0.666	2	119.1344	0.169	8	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4543	0.490	4	119.7322	0.365	9	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5310	0.000	1	119.7322	0.365	9	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ir<8>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0605	0.688	4	119.7322	0.365	9	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7306	0.791	5	118.7306	0.625	5	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ni<5>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9365	1.220	2	119.8220	0.322	6	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7648	0.166	4	119.8220	0.322	6	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Os<9>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5335	1.217	2	119.5335	1.481	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8800	0.107	2	118.8800	0.012	2	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.9197	1.637	4	120.9197	2.679	4	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5180	0.435	9	119.5180	0.189	9	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Rh<4>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8828	0.726	4	119.2527	1.019	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Rh<5>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9068	0.254	4	119.2527	1.019	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Rh<8>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9685	1.511	4	119.2527	1.019	12	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0231	0.796	18	119.9921	0.578	20	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7140	0.171	2	119.9921	0.578	20	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Sn<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7220	0.000	1	119.7220	0.000	1	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zn<5>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5955	0.091	2	119.3573	0.164	6	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2382	0.462	4	119.3573	0.164	6	119.5064	0.722	4396	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S){1|H<1>,2|C<3>}	121.2798	0.387	8	121.2798	0.150	8	121.2798	0.150	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>}	123.8498	0.682	5	123.8498	0.465	5	123.8498	0.465	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6,6a]O)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]N[6a])(C[6]C[6]H)(H){1|O<1>,3|C<3>}	122.1115	0.934	2	122.1115	0.873	2	122.1115	0.873	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Br){1|O<1>,2|C<3>}	121.4770	0.000	1	121.8860	0.335	2	121.8860	0.335	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Br<1>,1|I<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Br){1|O<1>,2|C<3>}	122.2950	0.000	1	121.8860	0.335	2	121.8860	0.335	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Cl<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(Cl){1|O<1>,2|C<3>}	120.1060	0.000	1	120.1060	0.000	1	120.1060	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.2610	0.000	1	122.2610	0.000	1	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.5480	0.000	1	122.5480	0.000	1	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	121.8482	0.589	4	121.8482	0.347	4	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.3320	0.000	1	122.3320	0.000	1	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.6000	0.000	1	122.0372	0.396	58	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.6580	0.000	1	122.0372	0.396	58	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.2432	0.655	6	122.0372	0.396	58	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	121.8240	0.554	2	122.0372	0.396	58	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	121.8102	0.762	9	122.0372	0.396	58	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.0103	0.524	6	122.0372	0.396	58	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	121.6630	0.000	1	122.0372	0.396	58	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Se<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.2165	0.566	4	122.0372	0.396	58	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.0324	0.649	28	122.0372	0.396	58	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]Cl)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.3440	0.000	1	122.3440	0.000	1	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	122.2610	0.000	1	122.2610	0.000	1	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	120.5670	1.100	2	120.5670	1.211	2	122.0062	0.438	69	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]I)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(I)	C[6](C[6]C[6,6a]O)(C[6]C[6]I)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(I){1|O<1>,2|C<3>}	122.2730	0.000	1	122.2730	0.000	1	122.2730	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|O<1>,2|C<3>}	123.9480	0.404	2	123.9480	0.164	2	123.9480	0.164	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(Br)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	120.2230	0.000	1	120.2230	0.000	1	119.0334	2.562	38	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]H)2(Br){1|Br<1>,2|C<3>}	119.6040	0.506	7	119.6040	0.256	7	119.0334	2.562	38	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|C<4>}	117.7713	1.253	7	117.7450	0.920	19	119.0334	2.562	38	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	118.3530	0.124	2	117.7450	0.920	19	119.0334	2.562	38	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|Co<6>,1|C<3>}	117.6050	0.829	10	117.7450	0.920	19	119.0334	2.562	38	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	119.3840	0.000	1	120.0535	0.634	4	119.0334	2.562	38	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	120.2767	0.807	3	120.0535	0.634	4	119.0334	2.562	38	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	121.2069	0.621	7	121.2069	0.386	7	119.0334	2.562	38	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Br)(C[6]C[6]Cl)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Br)(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	119.0860	0.000	1	119.0860	0.000	1	119.0860	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	119.6840	0.000	1	119.6840	0.000	1	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	118.3285	0.555	15	117.9726	0.431	28	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|O<1>}	117.1475	0.623	4	117.9726	0.431	28	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|Co<6>,1|C<3>}	117.8280	0.000	1	117.9726	0.431	28	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|Cu<4>,1|C<3>}	117.9930	0.000	1	117.9726	0.431	28	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|Cu<5>,1|C<3>}	117.2560	0.000	1	117.9726	0.431	28	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|Ni<6>,1|C<3>}	117.9420	0.382	2	117.9726	0.431	28	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|Pd<4>,1|C<3>}	117.4933	0.188	3	117.9726	0.431	28	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|Pt<6>,1|C<3>}	118.2760	0.000	1	117.9726	0.431	28	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]I)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]I)(H){1|Br<1>,1|C<3>,1|C<4>}	119.2780	0.000	1	119.2780	0.000	1	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|Os<9>,1|C<3>}	117.9550	0.609	3	118.4734	0.694	5	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|Re<6>,1|C<3>}	119.3430	0.000	1	118.4734	0.694	5	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|Zn<4>,1|C<3>}	119.1590	0.000	1	118.4734	0.694	5	118.1304	0.571	35	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	118.2790	0.071	2	118.2790	0.005	2	118.8886	3.992	37	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	117.7080	0.000	1	119.3142	0.571	13	118.8886	3.992	37	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	119.5095	0.694	2	119.3142	0.571	13	118.8886	3.992	37	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	119.2360	0.000	1	119.3142	0.571	13	118.8886	3.992	37	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,2|C<3>}	119.7890	0.358	6	119.3142	0.571	13	118.8886	3.992	37	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)2(Cl){2|Cl<1>,1|C<3>}	118.7960	0.675	3	119.3142	0.571	13	118.8886	3.992	37	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	118.8403	3.047	14	118.5784	8.570	16	118.8886	3.992	37	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|Co<6>,1|C<3>}	116.7455	0.380	2	118.5784	8.570	16	118.8886	3.992	37	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	119.0950	0.000	1	118.7007	0.819	4	118.8886	3.992	37	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	119.1815	0.011	2	118.7007	0.819	4	118.8886	3.992	37	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cl<1>,1|Cu<5>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|Cu<5>,1|C<3>}	117.3450	0.000	1	118.7007	0.819	4	118.8886	3.992	37	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]O)(Cl)	C[6](C[6]C[6]Cl)2(H){1|Cl<1>,1|N<2>,1|O<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(Cl){1|Cl<1>,1|C<3>}	119.5885	0.276	2	119.5885	0.076	2	118.8886	3.992	37	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]Cl)(C[6]C[6]F)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]Cl)(C[6]C[6]F)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)2(F){1|Cl<1>,1|C<3>,1|H<1>}	117.7220	0.831	4	117.7220	0.691	4	117.7220	0.691	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Cl<1>,1|C<3>}	126.2140	0.000	1	126.2140	0.000	1	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|B<3>,1|C<3>}	117.4900	0.000	1	117.7280	0.419	54	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	118.1927	0.523	3	117.7280	0.419	54	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Co<6>,1|C<3>}	117.4950	0.387	2	117.7280	0.419	54	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Cu<4>,1|C<3>}	118.1370	0.713	2	117.7280	0.419	54	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Cu<5>,1|C<3>}	117.5660	0.079	4	117.7280	0.419	54	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Ni<6>,1|C<3>}	117.4531	0.150	7	117.7280	0.419	54	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Pd<4>,1|C<3>}	117.7337	0.815	28	117.7280	0.419	54	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Ru<6>,1|C<3>}	117.7420	0.000	1	117.7280	0.419	54	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Zn<4>,1|C<3>}	117.8763	0.445	6	117.7280	0.419	54	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|Fe<6>,1|C<3>}	118.1060	0.141	2	118.1505	0.171	4	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|Os<9>,1|C<3>}	118.1950	0.696	2	118.1505	0.171	4	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Cl<1>,1|Ni<6>,1|C<3>}	118.9973	0.566	6	118.9973	0.321	6	118.0017	1.591	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]H)2(O){2|Cl<1>,1|C<3>}	120.4647	0.467	4	120.4647	0.218	4	120.4997	0.176	7	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|Cl<1>,1|C<3>,1|H<1>}	120.3755	0.465	2	120.3755	0.216	2	120.4997	0.176	7	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|Cl<1>,1|C<3>,1|H<1>}	120.8880	0.000	1	120.8880	0.000	1	120.4997	0.176	7	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(F)	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(F){1|Zn<6>,1|C<3>,1|F<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Zn<6>,1|C<3>,1|F<1>}	116.1190	0.675	2	116.1190	0.455	2	116.1190	0.455	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(F){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|F<1>,1|O<1>}	118.3520	0.000	1	118.3520	0.000	1	118.3424	1.064	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(F){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|F<1>,2|C<3>}	120.3260	0.000	1	120.3260	0.000	1	118.3424	1.064	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|F<1>}	117.4310	0.000	1	117.3820	0.049	4	118.3424	1.064	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|F<1>}	117.3657	0.268	3	117.3820	0.049	4	118.3424	1.064	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<9>,1|C<3>,1|F<1>}	117.0680	0.000	1	117.0680	0.000	1	118.3424	1.064	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(F)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(F){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|F<1>}	118.4813	0.505	6	118.4813	0.255	6	118.3424	1.064	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(F)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(F){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|F<1>}	119.4870	1.218	2	119.4870	1.483	2	118.3424	1.064	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	122.3460	0.000	1	122.3460	0.000	1	121.0325	3.451	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.7190	0.000	1	119.7190	0.000	1	121.0325	3.451	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>}	119.3860	0.000	1	119.3860	0.000	1	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Ir<6>,1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ir<6>,1|C<3>,1|H<1>}	120.0450	0.000	1	120.0450	0.000	1	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	119.4180	0.000	1	120.0890	0.212	9	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,2|C<3>}	C[6](C[6]C[6]H)2(Br){1|H<1>,2|C<3>}	120.1729	0.412	8	120.0890	0.212	9	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	117.2310	0.000	1	117.8225	0.462	13	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Br<1>,1|Fe<6>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Fe<6>,1|C<3>,1|H<1>}	117.5907	0.334	6	117.8225	0.462	13	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Br<1>,1|Ni<6>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ni<6>,1|C<3>,1|H<1>}	118.1528	0.855	6	117.8225	0.462	13	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	118.9471	0.846	25	118.9471	0.715	25	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	120.0160	0.000	1	120.0160	0.000	1	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	119.2535	0.030	2	119.7274	0.101	18	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	119.7866	0.285	16	119.7274	0.101	18	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	121.2370	0.376	2	121.2370	0.142	2	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Ir<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ir<6>,1|C<3>,1|H<1>}	119.5633	2.862	3	118.6616	3.196	8	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Re<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Re<6>,1|C<3>,1|H<1>}	118.3970	0.987	2	118.6616	3.196	8	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Ru<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ru<6>,1|C<3>,1|H<1>}	118.1075	0.822	2	118.6616	3.196	8	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	117.5940	0.000	1	118.6616	3.196	8	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Ir<6>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Ir<6>,1|C<3>,1|H<1>}	119.4900	0.014	2	119.4900	0.000	2	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	118.7113	0.725	3	119.1132	0.997	4	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	120.3190	0.000	1	119.1132	0.997	4	119.1418	1.228	84	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	121.5660	0.000	1	120.9750	0.699	2	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	120.3840	0.000	1	120.9750	0.699	2	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,2|H<1>}	120.0080	0.000	1	120.0080	0.000	1	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|O<1>}	117.6220	0.000	1	117.6220	0.000	1	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(Cl){1|C<3>,2|H<1>}	120.6240	0.943	2	120.6240	0.890	2	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)2(Cl){1|Br<1>,1|C<3>,1|H<1>}	120.0740	0.000	1	120.0826	0.362	12	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,2|H<1>}	119.6065	0.814	2	120.0826	0.362	12	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	119.4950	0.000	1	120.0826	0.362	12	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]H)2(Cl){1|H<1>,2|C<3>}	120.3564	0.557	7	120.0826	0.362	12	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|H<1>}	119.7140	0.000	1	120.0826	0.362	12	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>}	119.3270	0.000	1	119.3270	0.000	1	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	118.9309	0.789	16	118.9309	0.623	16	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	119.9793	0.427	21	119.9793	0.183	21	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cl<1>,1|Re<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Re<6>,1|C<3>,1|H<1>}	118.5840	1.153	3	118.5840	1.330	3	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|Cl<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Cd<6>,1|C<3>,1|H<1>}	121.0735	0.298	2	120.9548	0.041	6	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cl<1>,1|Cu<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Cu<6>,1|C<3>,1|H<1>}	121.0030	0.164	2	120.9548	0.041	6	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cl<1>,1|Ni<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	120.7880	0.006	2	120.9548	0.041	6	119.7706	0.885	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)2(F){1|C<3>,2|H<1>}	118.3170	2.242	2	118.6228	1.701	6	117.9625	1.331	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|F<1>}	C[6](C[6]C[6]H)2(F){1|Cl<1>,1|C<3>,1|H<1>}	118.7758	1.033	4	118.6228	1.701	6	117.9625	1.331	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|F<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Zn<5>,1|C<3>,1|H<1>}	117.1190	0.000	1	117.1190	0.000	1	117.9625	1.331	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Ru<9>,1|C<3>,1|H<1>}	117.3388	0.463	5	117.3388	0.215	5	117.9625	1.331	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]As[6]H)(C[6]C[6]H)(H)	C[6](C[6]As[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|As<3>,2|H<1>}	C[6](C[6]As[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]As[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	123.9653	0.822	6	123.9653	0.676	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|N<3>}	C[6](C[6]B[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>,1|V<7>,2|O<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	118.8370	0.000	1	118.8370	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]B[6]C[6])(C[6]C[6]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.9685	0.050	2	121.9685	0.003	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<3>,2|H<1>}	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	121.0795	0.641	2	121.7502	1.055	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<3>,2|H<1>}	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	122.4210	0.977	2	121.7502	1.055	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](C[6]B[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Pt<6>,1|B<4>,1|H<1>}	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]B[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	121.7410	0.000	1	121.7410	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	C[6](C[6]B[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>,1|O<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.2595	0.124	2	119.2595	0.015	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|C<4>,1|H<1>}	119.2120	0.000	1	119.2120	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.6450	0.000	1	120.6450	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.4480	0.000	1	119.8915	0.619	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|C<5>,1|H<1>,3|B<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	119.3350	0.000	1	119.8915	0.619	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3x3,4,3x5,14x6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	C[6](C[6]C[3x3,4,3x5,14x6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,4|B<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	111.1110	0.000	1	111.1110	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4,4,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,4,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[4,4,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[4,4,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	120.3710	0.000	1	120.3710	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4,5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[4,5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	121.0230	0.000	1	121.0230	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	119.5625	0.047	2	119.5625	0.002	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.1615	0.193	2	119.4927	0.459	22	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.6260	0.280	2	119.4927	0.459	22	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.7080	0.000	1	119.4927	0.459	22	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.6364	0.697	12	119.4927	0.459	22	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Ir<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|H<1>}	118.2180	0.000	1	119.4927	0.459	22	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.0050	0.000	1	119.4927	0.459	22	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Os<7>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<7>,1|C<3>,1|H<1>}	118.7240	0.000	1	119.4927	0.459	22	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Os<8>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<8>,1|C<3>,1|H<1>}	118.9550	0.000	1	119.4927	0.459	22	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.0170	0.000	1	119.4927	0.459	22	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|P<4>,2|C<3>}	120.1750	0.000	1	120.1750	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	126.3860	0.000	1	126.3860	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	122.7730	0.352	2	122.7730	0.124	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	122.7158	0.493	9	122.6776	0.230	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	122.3340	0.000	1	122.6776	0.230	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	118.7390	0.000	1	118.7390	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	121.0850	0.000	1	121.0850	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.4320	0.000	1	119.6603	1.304	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	121.3040	0.000	1	119.6603	1.304	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|Li<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)2(H){2|Li<4>,1|C<3>,1|H<1>}	118.8570	0.000	1	119.6603	1.304	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	118.7813	0.507	3	119.6603	1.304	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,3|H<1>}	120.6850	0.000	1	119.6603	1.304	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	119.9930	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	118.9005	0.780	2	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	119.7950	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	120.6485	0.035	2	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	120.6110	0.356	3	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,2|N<3>}	120.3630	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.7100	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	121.3060	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	120.0075	0.057	2	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>,2|N<3>}	121.1215	0.818	2	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	118.9644	0.618	8	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	121.1640	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|H<1>,1|N<3>,2|C<3>}	120.3760	0.392	2	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	118.2920	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	119.7356	0.939	5	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	120.1523	0.733	49	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	120.5065	0.447	4	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	120.3367	0.545	60	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	121.4803	0.200	3	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	120.5910	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	122.5740	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<9>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<9>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	119.7310	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	120.6610	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,2|N<3>}	120.1090	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	121.1100	0.639	2	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	120.5000	0.352	2	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	121.0754	0.455	8	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Os<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Os<6>,1|C<3>,1|H<1>,2|N<3>}	120.4100	2.110	3	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	120.8400	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	121.1150	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	121.0755	0.991	8	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.0220	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	120.9070	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	120.7905	0.441	4	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Sm<13>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Sm<13>,1|H<1>,1|N<3>,2|C<3>}	119.1180	0.311	2	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Sn<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Sn<4>,1|C<3>,1|H<1>,2|N<3>}	120.1070	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	120.5080	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	120.0734	0.624	5	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	119.9322	0.575	4	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	120.8032	0.128	6	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	119.4320	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,2|H<1>,2|N<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,2|H<1>,2|N<4>}	120.6960	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,2|H<1>,2|O<2>}	120.2600	0.000	1	120.3218	0.642	207	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	120.3420	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Al<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	119.2600	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	119.9475	0.169	2	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	119.5380	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.5165	0.141	2	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.8915	0.482	2	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.9028	0.674	5	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.2938	0.375	12	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|S<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.2120	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.1442	0.373	4	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	119.5127	0.275	9	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.4760	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.7610	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.6043	0.372	4	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.7390	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.5975	0.397	2	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.1670	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.9423	0.161	3	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.3480	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.6233	0.281	13	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.2960	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	119.7840	0.431	3	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	120.3217	0.492	7	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.6020	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.4003	0.651	3	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.0655	0.910	4	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.8800	0.670	2	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.4610	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.7600	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.1210	1.131	2	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.4713	0.133	3	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.2895	1.087	2	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.7390	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	121.6378	0.880	5	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Yb<12>,1|H<1>,1|S<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<12>,1|C<3>,1|H<1>}	118.6070	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.3070	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.1440	0.000	1	119.7499	0.657	106	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	119.0830	0.033	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	118.9495	0.353	10	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.0145	0.490	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.7550	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.0270	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.5710	0.331	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.1400	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	119.2730	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	119.8362	0.880	6	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	118.3260	0.345	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	120.4470	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	118.9280	1.227	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	119.8584	0.350	7	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	119.0720	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	119.1495	0.422	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	119.8770	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	118.7067	1.362	8	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	118.3692	0.957	6	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.5680	0.243	24	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.1831	0.700	10	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	119.0860	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.3144	0.430	11	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.0876	0.576	14	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.3249	0.541	12	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.7433	1.022	12	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|P<5>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.4610	0.642	4	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|S<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.4480	0.164	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.2118	0.906	9	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.0460	0.283	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.1719	0.763	11	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.1094	0.701	26	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.2643	0.224	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.1650	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	120.0385	0.719	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	118.8473	0.516	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.2723	0.157	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.1610	0.172	4	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.2590	0.427	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.6750	0.379	7	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.3979	0.477	91	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.0119	0.497	29	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<6>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<6>}	119.2330	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<7>}	119.3140	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	120.5410	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Hg<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<5>,1|C<3>,1|H<1>}	118.9040	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.8470	0.011	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	117.7557	2.196	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.2530	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.7767	1.857	16	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.4160	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.3572	0.696	26	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	119.4250	0.120	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.4443	0.256	6	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	119.2160	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	119.1450	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	119.4670	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.3926	0.777	11	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	118.4993	0.854	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.0714	0.558	12	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.3122	0.429	9	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>}	119.2960	0.064	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>}	119.5970	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	119.3978	0.423	5	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	119.0050	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Nd<12>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>}	118.3887	0.267	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.3200	0.214	5	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.6867	0.252	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.5915	0.275	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.8996	0.435	5	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>}	117.7477	1.961	4	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>}	119.6210	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	119.9710	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.6778	0.602	5	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.0293	0.604	13	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.8170	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.8700	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.9917	0.899	4	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.3265	0.662	8	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|Se<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.5010	0.405	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	118.2740	0.911	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	118.3450	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	119.0317	0.344	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.8925	0.233	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.9380	0.760	4	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.8711	2.846	8	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	119.0574	0.548	11	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.4305	0.610	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	119.2155	2.218	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.2730	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.1400	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.3795	0.059	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.2059	0.716	22	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.5165	0.473	4	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	119.0130	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.8430	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	118.8348	0.543	5	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.4480	0.555	10	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.4847	0.581	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.6824	0.755	5	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.6058	0.227	10	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.2390	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	120.4742	0.817	5	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.7700	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.9780	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.2760	0.457	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.6200	0.103	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.3700	0.095	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.4980	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	119.1160	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	120.0210	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	119.9630	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	117.2800	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	118.8040	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.5224	0.439	16	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.8850	0.512	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Cd<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	119.5710	0.410	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.7240	0.288	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Pt<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.5495	0.163	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.4300	0.138	3	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Zn<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	118.9387	0.455	4	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.1070	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.7810	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.1335	0.292	4	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.0178	0.417	6	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.0820	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	118.9370	0.225	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.7665	0.107	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.9680	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.5755	0.243	4	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|N<3>,1|S<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.2720	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.6217	0.745	4	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.4460	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.6505	0.080	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|Re<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.7665	0.728	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.6750	2.680	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|Re<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.8645	0.063	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	119.4070	0.758	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<10>,1|Pt<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.3520	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	119.8460	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	118.9207	0.632	4	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.2470	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|Ru<7>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.2800	0.727	10	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.8280	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.4800	0.000	1	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	118.3555	1.395	2	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){2|Ru<7>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|H<1>}	118.8997	0.268	4	119.2170	0.645	724	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	120.7810	0.000	1	120.5245	0.132	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.2680	0.000	1	120.5245	0.132	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cd<5>,1|C<3>,1|H<1>}	120.5690	0.000	1	119.9382	0.993	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<8>,1|C<3>,1|H<1>}	118.9790	0.000	1	119.9382	0.993	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.2630	0.000	1	119.9382	0.993	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.4400	1.301	2	119.9382	0.993	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|W<6>,2|C<3>}	118.6350	0.000	1	119.9610	0.734	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Cr<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	118.8570	0.000	1	119.9610	0.734	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Mo<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	119.1860	0.000	1	119.9610	0.734	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	120.7265	0.588	2	119.9610	0.734	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	120.5280	0.023	2	119.9610	0.734	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	120.6590	0.000	1	119.9610	0.734	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	119.2989	0.532	8	119.9610	0.734	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	120.2395	0.387	4	119.9610	0.734	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	120.8550	0.178	2	119.9610	0.734	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	121.0800	0.518	2	119.9610	0.734	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	120.2260	1.349	6	120.5510	1.299	25	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	118.6610	0.000	1	120.5510	1.299	25	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	120.9045	0.364	2	120.5510	1.299	25	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	121.0769	0.844	13	120.5510	1.299	25	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,3|C<3>}	119.9980	0.000	1	120.5510	1.299	25	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	118.9755	0.238	2	120.5510	1.299	25	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	121.4880	0.453	2	121.6699	1.814	12	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	121.5780	1.598	8	121.6699	1.814	12	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	121.4630	0.000	1	121.6699	1.814	12	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	122.9760	0.000	1	121.6699	1.814	12	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<4>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<4>,1|C<3>,1|H<1>}	118.7900	0.000	1	119.1478	0.431	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	119.2090	0.000	1	119.1478	0.431	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|Ru<7>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.5490	0.000	1	119.1478	0.431	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.0430	0.000	1	119.1478	0.431	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|C<3>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]N[6]Ru)(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.2180	0.000	1	119.2180	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	120.5580	0.000	1	120.5580	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.3570	0.000	1	119.0960	1.992	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.5070	0.000	1	119.0960	1.992	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|Cu<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cu<4>,1|C<3>,2|H<1>}	120.3600	0.000	1	119.0960	1.992	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,3|H<1>}	117.6280	0.000	2	119.0960	1.992	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,4|C<3>}	119.2735	0.431	2	119.8336	0.553	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	120.8690	0.000	1	119.8336	0.553	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<2>,2|C<3>}	119.6360	0.000	1	119.8336	0.553	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	119.9070	0.000	1	119.8336	0.553	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	120.0117	1.001	3	119.8336	0.553	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	119.0020	0.000	1	119.8336	0.553	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	120.3400	0.000	1	119.8336	0.553	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	121.6930	0.000	1	121.2759	1.117	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	119.3550	0.000	1	121.2759	1.117	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.4120	0.000	1	121.2759	1.117	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	120.9260	0.000	1	121.2759	1.117	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	121.7480	0.560	2	121.2759	1.117	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	120.7485	0.373	2	121.2759	1.117	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	122.1670	0.000	1	121.2759	1.117	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<3>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<3>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.6230	0.000	1	121.2759	1.117	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	121.4180	0.095	2	121.2759	1.117	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	122.4845	2.082	2	121.2759	1.117	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.1650	0.000	1	121.2759	1.117	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	119.3490	0.034	2	119.1820	0.143	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Al<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	119.2910	0.000	1	119.1820	0.143	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.5280	0.000	1	119.1820	0.143	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.1670	0.000	1	119.1820	0.143	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.2189	0.450	7	119.1820	0.143	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.1500	0.000	1	119.1820	0.143	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ag<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>,1|H<1>}	119.1000	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<4>,1|C<3>,1|H<1>}	120.9310	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	118.2480	0.293	2	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.1137	0.346	4	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	119.1420	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.2480	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.9320	0.638	7	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.1780	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.6855	0.490	4	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.3370	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	120.3085	2.614	2	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	119.6250	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.3240	0.388	12	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	118.8490	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	119.4905	0.103	2	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.1996	0.223	8	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.6950	0.485	4	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.1820	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.9683	1.334	9	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	118.9830	0.170	2	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	120.5030	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.7905	0.029	2	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.7017	0.697	9	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.9827	0.517	3	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<5>,1|C<3>,1|H<1>}	118.1220	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.2252	0.490	24	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.2063	0.468	15	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.4475	0.677	18	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	119.2070	0.424	3	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.6525	0.335	4	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.6150	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.3614	0.412	7	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.4040	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.6210	0.270	3	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.8070	0.055	3	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.8690	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.5028	0.619	4	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	118.8725	0.709	6	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	118.9500	0.230	3	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<7>,1|C<3>,1|H<1>}	118.6045	0.402	4	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.0795	0.170	2	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.6937	0.370	20	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.4693	0.562	8	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.3133	0.980	3	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	120.1130	0.260	2	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.7917	0.636	12	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.5298	0.777	13	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.8017	0.574	4	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	120.1388	1.328	5	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	119.0990	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	119.1580	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	118.3130	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.0520	0.325	2	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.2340	0.000	1	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	119.4930	0.713	12	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Sn<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<3>,1|C<3>,1|H<1>}	120.2726	0.729	14	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Sn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<4>,1|C<3>,1|H<1>}	119.8902	0.338	4	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.7823	0.439	4	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.5424	0.342	5	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	118.8585	0.104	2	119.4892	0.563	294	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<6>,1|C<3>,1|H<1>}	119.7095	0.282	2	119.7095	0.080	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	119.7780	0.000	1	119.6787	0.428	17	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	119.3560	0.000	1	119.6787	0.428	17	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	119.2000	0.000	1	119.6787	0.428	17	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<8>,1|H<1>,1|N<3>,2|C<3>}	119.5392	0.370	12	119.6787	0.428	17	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	120.8665	1.391	2	119.6787	0.428	17	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Al<4>,1|H<1>,3|C<3>}	119.6560	0.000	1	120.8582	1.897	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	119.7710	0.000	1	120.8582	1.897	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<7>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Os<7>,1|H<1>,3|C<3>}	120.1890	0.000	1	120.8582	1.897	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	121.4350	0.000	1	120.8582	1.897	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	122.0490	1.800	2	120.8582	1.897	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	121.9480	0.597	4	121.7556	0.393	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	121.6016	0.672	5	121.7556	0.393	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<6>,1|H<1>,1|N<3>}	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	117.2890	0.000	1	117.2890	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	120.0085	0.180	2	120.0085	0.033	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Se<2>,1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.2560	0.000	1	119.8908	0.427	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.5540	0.000	1	119.8908	0.427	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Li<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Li<4>,1|C<3>,2|H<1>}	120.5000	0.000	1	119.8908	0.427	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pr<17>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Pr<17>,1|C<3>,2|H<1>}	119.8540	0.000	1	119.8908	0.427	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	118.9820	0.000	1	119.8908	0.427	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Li<5>,1|Ni<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Li<5>,1|Ni<7>,1|C<3>,1|H<1>}	120.1990	0.000	1	119.8908	0.427	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pr<17>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Pr<17>,1|H<1>,1|O<2>,3|C<3>}	119.7230	0.000	1	119.5772	0.188	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pr<17>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Pr<17>,1|H<1>,1|O<2>,3|C<3>}	119.2470	0.000	1	119.5772	0.188	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Th<12>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Th<12>,1|H<1>,1|O<2>,3|C<3>}	120.6810	0.000	1	119.5772	0.188	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Li<3>,1|Li<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Li<3>,1|Li<4>,1|H<1>,3|C<3>}	119.4070	0.000	1	119.5772	0.188	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pr<17>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Pr<17>,1|H<1>,1|O<2>,3|C<3>}	119.6910	0.000	1	119.5772	0.188	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Ti<10>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ti<10>,1|H<1>,1|O<2>,3|C<3>}	119.4693	0.331	8	119.5772	0.188	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|As<3>,1|C<2>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.2210	0.000	1	120.0060	0.133	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|As<4>,1|C<2>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.9343	0.410	3	120.0060	0.133	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<2>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.5290	0.000	1	119.5290	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	119.0550	0.000	1	119.0550	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.6150	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	119.4431	0.620	22	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<2>}	118.7670	1.097	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Gd<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Gd<16>,1|C<3>,1|H<1>,1|O<2>}	118.8575	0.036	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<2>}	120.6610	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	120.5670	0.413	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.8010	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,2|H<1>}	118.4100	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9440	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<5>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Dy<16>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Dy<16>,1|C<3>,1|H<1>,1|O<3>}	119.3480	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<5>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Gd<16>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Gd<16>,1|C<3>,1|H<1>,1|O<3>}	119.2110	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.7490	0.266	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|U<8>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|U<8>}	119.8340	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|V<6>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|V<6>,2|H<1>}	121.5950	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<12>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<12>,1|C<3>,1|H<1>,1|N<3>}	119.5345	0.527	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<7>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<7>,1|C<3>,1|H<1>,1|O<3>}	119.5670	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<8>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<8>,1|C<3>,1|H<1>,1|N<3>}	119.7960	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<4>,1|C<3>,1|H<1>,1|N<3>}	120.1945	0.243	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<4>,1|H<1>,2|C<3>}	120.0750	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<7>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<7>,1|C<3>,1|H<1>,1|N<4>}	119.7060	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Er<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Er<15>,1|C<3>,1|H<1>,1|N<3>}	120.0050	0.378	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Eu<8>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Eu<8>,1|C<3>,1|H<1>,1|N<3>}	119.7090	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<8>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<8>,1|C<3>,1|H<1>,1|N<3>}	120.2100	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<9>,1|C<3>,1|H<1>,1|N<3>}	119.0800	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<16>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<16>,1|C<3>,1|H<1>,1|N<3>}	120.6020	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Li<5>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Li<5>,1|C<3>,1|H<1>,1|N<4>}	119.3430	0.781	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>,1|O<2>}	119.7880	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>,1|O<3>}	119.7595	0.361	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<15>,1|C<3>,1|H<1>,1|N<3>}	120.1150	0.587	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>,1|N<3>}	120.3100	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,2|H<1>}	120.5900	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,2|C<3>}	120.3030	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sc<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sc<9>,1|C<3>,1|H<1>,1|N<3>}	120.0830	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sm<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sm<10>,1|C<3>,1|H<1>,1|N<3>}	120.3680	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sm<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sm<11>,1|C<3>,1|H<1>,1|N<3>}	119.9620	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sr<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sr<6>,1|C<3>,1|H<1>,1|N<3>}	118.8047	0.462	4	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<14>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<14>,1|C<3>,1|H<1>,1|O<2>}	119.6730	0.375	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<17>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<17>,1|C<3>,1|H<1>,1|N<3>}	120.7900	0.634	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<13>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<13>,1|C<3>,1|H<1>,1|N<2>}	119.1554	0.489	5	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<14>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<14>,1|C<3>,1|H<1>,1|N<3>}	120.3680	1.066	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<15>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<15>,1|C<3>,1|H<1>,1|N<2>}	119.0070	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<16>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<16>,1|C<3>,1|H<1>,1|H<2>}	121.0535	0.433	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<13>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<13>,1|C<3>,1|H<1>,1|N<3>}	119.8595	0.733	2	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<10>,1|C<3>,1|H<1>,1|N<3>}	118.8020	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<7>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<7>,1|C<3>,1|H<1>,1|N<3>}	119.2820	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	119.3957	0.351	3	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	119.6740	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Ir<6>,1|C<3>,1|H<1>}	119.9310	0.000	1	119.6609	0.586	93	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|F<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	119.2060	0.000	1	119.2060	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	118.9000	0.222	2	119.5873	1.442	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	120.9620	0.000	1	119.5873	1.442	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<3>}	120.0680	0.232	2	120.2252	0.227	53	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Gd<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Gd<15>,1|C<3>,1|H<1>,1|O<3>}	119.9395	0.233	2	120.2252	0.227	53	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ce<18>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ce<18>,1|C<3>,1|H<1>,1|O<3>}	120.5540	0.582	4	120.2252	0.227	53	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Er<14>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Er<14>,1|C<3>,1|H<1>,1|O<3>}	119.7900	0.000	1	120.2252	0.227	53	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ho<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ho<15>,1|C<3>,1|H<1>,1|O<2>}	120.5380	0.141	2	120.2252	0.227	53	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<18>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|La<18>,1|C<3>,1|H<1>,1|O<2>}	120.5370	0.412	3	120.2252	0.227	53	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<18>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Nd<18>,1|C<3>,1|H<1>,1|O<3>}	121.1755	1.044	2	120.2252	0.227	53	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Tb<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Tb<15>,1|C<3>,1|H<1>,1|O<2>}	120.5845	0.009	2	120.2252	0.227	53	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Yb<15>,1|C<3>,1|H<1>,1|O<2>}	120.7750	0.033	2	120.2252	0.227	53	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	120.0800	0.000	1	120.2252	0.227	53	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	121.0170	0.000	1	120.2252	0.227	53	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	120.0342	0.339	31	120.2252	0.227	53	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.1519	1.149	11	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.0553	0.714	10	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	120.1510	0.000	1	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	119.7250	0.000	1	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<1>,2|H<1>}	120.7170	0.000	1	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<15>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Zr<15>,1|C<3>,1|H<1>,1|H<2>}	121.8940	0.000	1	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Al<4>,1|C<3>,1|H<1>}	120.2480	0.000	1	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.9810	0.000	1	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	118.9891	0.432	27	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	119.8398	1.695	14	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,3|H<1>}	119.7173	0.674	3	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Hf<10>,1|C<3>,1|H<1>,1|N<3>}	119.4603	0.467	4	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Hf<11>,1|C<3>,1|H<1>,1|N<3>}	119.5037	0.225	3	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Hf<9>,1|C<3>,1|H<1>,1|N<3>}	119.7490	0.597	5	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Mg<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Mg<6>,1|C<3>,2|H<1>}	120.6230	0.000	1	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Nd<12>,1|C<3>,1|H<1>,1|N<4>}	119.3277	0.109	3	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<16>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|U<16>,1|C<3>,2|H<1>}	120.4180	0.000	1	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Y<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Y<10>,1|C<3>,1|H<1>,1|N<3>}	119.6100	0.033	2	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<12>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Yb<12>,1|C<3>,1|H<1>,1|N<3>}	120.3490	1.344	2	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Zr<11>,1|C<3>,1|H<1>,1|N<3>}	119.4925	0.378	4	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	119.5430	0.649	2	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Li<4>,1|C<3>,1|H<1>}	118.7483	0.356	3	119.6227	0.952	101	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<7>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	120.8320	0.078	2	120.8320	0.006	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	110.8480	0.000	1	110.8480	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cr<8>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|Cr<8>,1|C<3>,1|H<1>,1|O<3>}	120.3460	0.282	4	120.3460	0.079	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,2|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.1060	0.839	2	120.1060	0.703	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	121.5610	0.000	1	121.5610	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ge<4>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.4270	0.000	1	119.4270	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Co<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Co<5>,1|C<3>,2|H<1>}	121.5885	0.730	2	121.8281	0.838	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Fe<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Fe<5>,1|C<3>,2|H<1>}	121.6125	0.339	2	121.8281	0.838	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Li<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Li<5>,1|C<3>,2|H<1>}	120.5220	0.000	1	121.8281	0.838	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cr<7>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cr<7>,1|C<3>,1|H<1>,1|H<2>}	122.8600	0.000	1	121.8281	0.838	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Mo<7>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Mo<7>,1|C<3>,1|H<1>,1|H<2>}	123.0130	0.000	1	121.8281	0.838	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	120.9248	1.534	5	120.9248	2.352	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|W<9>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,1|W<9>}	C[6](C[6]C[6]H)(C[6]C[6]W)(H){1|C<3>,1|H<1>,1|O<2>}	120.2850	0.310	3	120.2850	0.096	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.9250	0.000	1	119.1945	6.953	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.2727	0.266	3	119.1945	6.953	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	115.4297	6.568	3	119.1945	6.953	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	119.8762	0.200	9	119.1945	6.953	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,1|V<9>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<9>}	118.9637	1.918	6	119.1945	6.953	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|W<10>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|W<10>,1|C<3>,1|H<1>,1|O<2>}	119.9840	0.139	2	119.1945	6.953	24	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	122.1070	0.074	2	122.3091	2.695	8	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	119.6180	0.000	1	122.3091	2.695	8	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|P<4>,2|C<3>}	124.4885	0.394	2	122.3091	2.695	8	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Pd<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Pd<4>,1|H<1>,2|C<3>}	121.4170	0.132	2	122.3091	2.695	8	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Rh<5>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Rh<5>,1|C<3>,1|H<1>,1|H<2>}	122.8300	0.000	1	122.3091	2.695	8	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|S<4>}	121.5850	0.000	1	121.5850	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.7820	0.000	1	121.3996	6.921	60	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|H<1>}	121.2910	0.000	1	121.3996	6.921	60	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	125.8582	9.678	4	121.3996	6.921	60	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	120.1050	2.499	2	121.3996	6.921	60	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|P<4>}	121.4250	0.000	1	121.3996	6.921	60	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	120.2763	0.467	8	121.3996	6.921	60	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	121.1759	0.704	36	121.3996	6.921	60	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.2705	0.030	2	121.3996	6.921	60	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,2|O<2>}	121.8060	0.000	1	121.3996	6.921	60	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,3|C<3>}	122.6460	0.000	2	121.3996	6.921	60	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ti<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ti<11>,1|C<3>,1|H<1>,1|N<3>}	120.3260	0.099	2	121.3996	6.921	60	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.0859	0.751	26	119.9919	0.540	37	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	118.5030	0.000	1	119.9919	0.540	37	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,3|H<1>}	120.0234	0.484	5	119.9919	0.540	37	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Hf<13>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Hf<13>,1|C<3>,1|H<1>,1|O<2>}	120.5010	0.000	1	119.9919	0.540	37	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|La<14>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|La<14>,1|C<3>,1|H<1>,1|O<2>}	118.8200	0.000	1	119.9919	0.540	37	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Zr<13>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<3>,1|H<1>,1|O<2>}	120.0440	0.089	2	119.9919	0.540	37	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Zr<14>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<3>,1|H<1>,1|O<2>}	119.4370	0.000	1	119.9919	0.540	37	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.0760	0.000	1	119.6612	0.195	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	120.0620	0.000	1	119.6612	0.195	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	119.7925	0.114	2	119.6612	0.195	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|Y<12>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Y<12>,1|C<3>,1|H<1>,1|N<3>}	119.0430	0.000	1	119.6612	0.195	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|Yb<12>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Yb<12>,1|C<3>,1|H<1>,1|N<3>}	119.2010	0.000	1	119.6612	0.195	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]U)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|U<13>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]U)(H){1|Te<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Te<2>,1|U<13>,1|C<3>,1|H<1>}	119.1370	0.000	1	119.6460	0.518	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]U)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|U<15>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]U)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|U<15>,1|C<3>,2|H<1>}	120.1550	0.000	1	119.6460	0.518	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]Y)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Y<13>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]Y)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|Y<13>,1|C<3>,1|H<1>,1|S<3>}	120.6330	0.000	1	120.6330	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Re<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Re<6>,1|C<4>,1|H<1>,2|C<3>}	120.7410	0.000	1	120.7410	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.6560	0.209	2	120.1386	0.305	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.4367	0.691	3	120.1386	0.305	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.1740	0.314	2	120.1386	0.305	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	120.3195	0.124	2	120.3195	0.015	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|B<4>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|C<3>,2|H<1>}	120.6900	0.000	1	119.0515	0.507	11	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|B<4>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Co<6>,1|C<3>,1|H<1>}	119.0040	0.000	1	119.0515	0.507	11	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|B<4>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.4250	0.000	1	119.0515	0.507	11	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|B<4>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.9447	0.338	7	119.0515	0.507	11	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|B<4>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Sc<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Sc<8>,1|C<3>,1|H<1>}	117.8350	0.000	1	119.0515	0.507	11	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.8268	0.174	5	119.0277	0.242	59	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.8656	0.508	17	119.0277	0.242	59	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	119.1042	0.273	12	119.0277	0.242	59	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.1248	0.505	4	119.0277	0.242	59	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.8055	0.561	2	119.0277	0.242	59	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	119.2740	0.308	8	119.0277	0.242	59	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.6779	0.390	9	119.0277	0.242	59	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	118.5665	0.387	2	119.0277	0.242	59	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.9640	0.079	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	119.3970	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	119.5662	0.226	4	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	119.5170	1.203	5	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	118.8272	0.935	6	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	120.0520	0.629	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	120.7410	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.9360	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.0372	0.794	12	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.2363	0.531	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	119.2387	0.392	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.1117	0.369	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.5802	0.724	64	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	119.8815	0.111	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	119.5568	1.859	6	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	119.2860	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	119.5263	1.076	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.5200	0.860	4	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	120.0320	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.6208	0.478	4	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.2580	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.2307	0.773	12	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.3817	2.045	15	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.2490	0.331	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	119.5925	0.424	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	121.7630	0.264	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	119.8760	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.7630	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.8515	0.023	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<3>,1|C<3>,1|H<1>}	120.2750	0.011	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.9485	0.995	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.4184	0.361	5	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	118.6483	0.232	23	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|C<5>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.7250	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	119.3915	0.288	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Au<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Au<3>,1|C<3>,1|H<1>}	119.1195	0.165	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.0835	0.404	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.7575	0.531	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.6950	0.212	5	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<6>,1|C<3>,1|H<1>}	120.0860	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	119.5750	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	120.2934	0.559	8	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	120.4929	0.570	7	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Au<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Au<4>,1|C<3>,1|H<1>}	119.4120	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.9810	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	118.8780	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.3082	0.483	6	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<9>,1|C<3>,1|H<1>}	119.1665	0.127	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	120.2137	0.432	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	119.6520	0.274	7	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	120.2726	0.662	30	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	120.1196	0.865	35	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.2384	0.669	73	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	120.1215	0.254	6	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	120.9096	0.211	9	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	119.8510	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.3929	0.625	16	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.8166	0.550	23	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.9044	0.447	30	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Er<12>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Er<12>,1|C<3>,1|H<1>}	118.6630	0.226	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<12>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<12>,1|C<3>,1|H<1>}	119.7885	0.868	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	120.1366	0.756	12	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.9511	0.517	66	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.4006	0.863	60	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	119.9204	0.390	17	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	118.2630	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<3>,1|C<3>,1|H<1>}	120.6030	0.983	4	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ge<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ge<2>,1|C<3>,1|H<1>}	119.8210	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	119.8846	1.139	8	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	120.1962	1.513	6	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	120.7380	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	120.0990	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	118.4320	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	119.8030	0.125	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	120.4512	0.708	5	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	120.2650	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	120.3059	0.595	7	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.1495	1.005	23	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	120.1733	0.528	27	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	119.8190	0.806	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	119.2360	1.005	6	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	119.3706	0.627	5	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<9>,1|C<3>,1|H<1>}	117.1230	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Nd<16>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Nd<16>,1|C<3>,1|H<1>}	118.7330	0.378	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	120.1404	0.856	27	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.2659	0.724	7	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.1027	0.548	73	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pb<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pb<3>,1|C<3>,1|H<1>}	120.6120	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.4417	0.584	24	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.3301	2.192	13	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	118.8488	1.452	5	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	118.5257	1.208	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	119.9450	0.616	4	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.0623	0.960	15	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sb<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sb<7>,1|C<3>,1|H<1>}	119.6750	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Se<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Se<1>,1|C<3>,1|H<1>}	119.9060	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<12>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<12>,1|C<3>,1|H<1>}	119.0010	0.680	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<3>,1|C<3>,1|H<1>}	119.4940	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	119.2027	0.516	4	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<7>,1|C<3>,1|H<1>}	120.4690	0.519	8	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sr<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sr<9>,1|C<3>,1|H<1>}	118.9720	0.520	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	118.0610	1.093	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.8899	0.577	7	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	120.1634	0.457	19	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<7>,1|C<3>,1|H<1>}	119.4650	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<3>,1|C<3>,1|H<1>}	120.1280	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	119.4220	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<5>,1|C<3>,1|H<1>}	120.2070	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<3>,1|C<3>,1|H<1>}	119.4340	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	120.0913	0.443	4	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	118.0670	0.000	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.3910	0.345	12	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	118.9879	0.471	7	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<5>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<5>}	118.8150	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	119.5040	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|W<5>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|W<5>}	119.2620	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|W<6>}	118.0390	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|W<9>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|W<9>}	118.2950	0.361	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.3415	0.476	44	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	118.9436	1.104	11	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	119.2723	0.771	15	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.7065	0.821	68	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	119.7750	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	118.9890	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	119.4490	0.474	5	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	119.3010	0.597	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<2>,1|C<3>,1|H<1>}	118.9560	0.495	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	119.5667	0.388	9	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.0637	0.889	57	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.5002	0.810	43	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.7445	0.497	10	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	119.4290	0.456	4	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.0893	0.806	14	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.3413	0.643	100	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	119.8502	0.782	6	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	119.9300	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	119.2935	0.667	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<6>,1|C<3>,1|H<1>}	119.4000	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	118.7610	0.649	4	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	119.0792	0.515	13	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.9304	0.670	32	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	118.6805	0.182	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	120.0950	0.966	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<7>,1|C<3>,1|H<1>}	119.7425	0.138	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	119.7040	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.4530	0.532	36	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	120.3975	0.906	13	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	118.4127	0.525	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	119.0374	0.781	18	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<9>,1|C<3>,1|H<1>}	118.3840	0.380	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	118.9358	0.740	23	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.3298	0.333	5	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.5954	0.941	82	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	119.4808	0.779	4	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	120.0008	1.134	9	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.2915	0.814	67	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	118.9795	0.056	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<6>,1|C<3>,1|H<1>}	119.6925	0.405	13	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.4096	0.926	13	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	121.0888	0.246	5	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	119.4062	0.679	12	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<7>,1|C<3>,1|H<1>}	118.3840	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	119.1761	0.572	15	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	119.0776	0.364	14	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	119.5010	0.753	6	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	118.6423	0.502	4	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	119.0126	0.323	7	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.3077	1.032	46	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	118.5500	0.480	5	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	120.0390	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ti<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ti<5>,1|C<3>,1|H<1>}	118.9250	1.444	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<13>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<13>,1|C<3>,1|H<1>}	119.5050	0.517	3	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.0322	0.389	5	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.5670	0.681	5	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	120.1406	0.532	7	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|C<4>,1|H<1>}	118.9750	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){2|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){2|Co<6>,1|C<3>,1|H<1>}	119.0170	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){2|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){2|Ni<6>,1|C<3>,1|H<1>}	119.9565	0.568	2	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<2>}	118.9660	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Nd<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Nd<15>,1|C<3>,1|H<1>,1|O<2>}	118.6860	0.000	1	119.6722	0.865	1882	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|F<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.7565	0.648	2	119.7915	0.173	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|F<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.0275	0.083	2	119.7915	0.173	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|F<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.7245	0.444	6	119.7915	0.173	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	118.6022	0.130	4	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.2990	0.440	8	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.3095	0.482	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	119.5915	0.169	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.6880	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.0742	0.471	5	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.6396	0.728	5	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	119.2200	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.9790	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	119.0200	0.116	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	120.5330	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	119.4766	0.480	14	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	119.0430	0.321	4	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	119.8800	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.0315	0.036	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Bi<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<6>,1|C<3>,1|H<1>}	119.2360	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.5644	0.503	25	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.2505	1.280	6	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.6733	0.291	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<5>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<5>}	119.5515	0.197	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<6>}	119.5737	0.607	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<7>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<7>}	118.9780	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.9977	0.834	81	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<8>,1|C<3>,1|H<1>}	119.0840	0.264	5	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	119.3920	0.387	11	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	119.3242	0.413	23	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<7>,1|C<3>,1|H<1>}	119.0990	0.016	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<8>,1|C<3>,1|H<1>}	119.4000	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	118.8583	0.510	10	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	118.8411	0.518	11	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.0457	0.801	109	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	119.6070	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<4>,1|C<3>,1|H<1>}	118.9370	0.068	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<5>,1|C<3>,1|H<1>}	119.1538	0.469	4	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	119.1672	0.809	29	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	118.9445	0.176	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	118.9878	0.306	4	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.0694	0.595	59	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.0821	0.465	66	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.8340	0.824	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<10>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<10>,1|C<3>,1|H<1>}	120.2140	3.584	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	119.8180	1.101	6	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	118.8812	0.528	18	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.1511	0.843	178	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<7>,1|C<3>,1|H<1>}	118.9965	0.254	4	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<8>,1|C<3>,1|H<1>}	119.0885	0.774	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	118.7070	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.3505	1.493	38	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	119.2010	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.2321	1.004	29	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	119.1610	0.034	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<4>,1|C<3>,1|H<1>}	119.1410	0.230	4	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	118.9378	0.189	5	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.2451	0.703	96	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	118.7242	0.749	4	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>}	117.6240	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	119.0439	0.386	7	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	119.8170	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	119.0973	0.641	6	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	118.8700	0.466	33	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.1740	0.388	8	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.3723	1.087	179	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<5>,1|C<3>,1|H<1>}	119.7385	0.535	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	118.0560	0.219	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<7>,1|C<3>,1|H<1>}	118.8750	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<8>,1|C<3>,1|H<1>}	118.9000	0.139	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	119.0195	0.623	6	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pb<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pb<7>,1|C<3>,1|H<1>}	118.2170	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.8951	0.658	74	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	118.8540	0.621	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<8>,1|C<3>,1|H<1>}	119.4110	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.9295	1.116	59	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	118.7025	0.110	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	119.1269	0.330	12	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.9645	0.779	45	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<8>,1|C<3>,1|H<1>}	119.1460	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	118.8825	0.298	8	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<7>,1|C<3>,1|H<1>}	119.3470	0.000	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	118.8863	0.803	17	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	119.0873	1.111	7	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.1755	0.836	13	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|H<1>}	117.4758	0.384	4	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	118.5367	0.218	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	118.7815	0.450	28	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sb<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sb<5>,1|C<3>,1|H<1>}	120.9270	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<10>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<10>,1|C<3>,1|H<1>}	120.0210	2.400	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<9>,1|C<3>,1|H<1>}	118.7213	0.440	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<4>,1|C<3>,1|H<1>}	119.5410	0.998	6	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	119.5226	0.388	19	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.4030	0.524	50	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.4181	0.519	32	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.0022	0.505	71	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zr<13>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<13>,1|C<3>,1|H<1>}	118.7200	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	119.3436	0.742	14	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<3>,1|C<3>,1|H<1>}	118.3460	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	119.3500	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	119.5620	0.000	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	119.4043	0.191	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Au<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<5>,1|C<3>,1|H<1>}	120.4830	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	118.3957	0.195	9	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	119.0520	0.843	5	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.6212	0.946	26	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	120.2870	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.2540	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.7231	1.011	34	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	119.0000	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<5>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<5>}	119.1075	0.479	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<6>}	119.3590	0.330	14	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<7>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<7>}	119.5453	0.566	6	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.1085	0.551	144	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<10>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<10>,1|C<3>,1|H<1>}	119.0980	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<8>,1|C<3>,1|H<1>}	118.9948	0.455	6	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	119.0810	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	118.8813	0.999	12	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	119.1010	0.570	32	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<7>,1|C<3>,1|H<1>}	119.0037	0.449	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	118.8425	0.816	16	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	119.2436	0.464	50	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.3093	0.713	281	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	119.5714	0.879	11	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	118.3660	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<5>,1|C<3>,1|H<1>}	118.7170	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	119.5280	1.362	44	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<7>,1|C<3>,1|H<1>}	119.3300	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<9>,1|C<3>,1|H<1>}	117.9343	0.416	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<2>,1|C<3>,1|H<1>}	118.9290	0.101	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	119.0885	0.837	17	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.2054	0.899	140	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.3866	0.801	348	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.2674	0.547	21	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<13>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<13>,1|C<3>,1|H<1>}	119.8460	0.994	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<9>,1|C<3>,1|H<1>}	118.4330	0.660	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	119.1658	0.363	10	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.1731	0.490	41	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.1630	0.705	874	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<7>,1|C<3>,1|H<1>}	119.0365	0.473	13	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<8>,1|C<3>,1|H<1>}	119.1153	2.933	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	119.0070	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	119.4570	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.5895	0.336	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	118.8410	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<5>,1|C<3>,1|H<1>}	119.3410	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|In<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	119.3010	0.330	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|H<1>}	117.7945	0.975	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.1506	0.859	56	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	118.9097	0.231	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.1029	0.852	30	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	118.9627	0.480	10	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<5>,1|C<3>,1|H<1>}	119.1634	0.465	5	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	119.3215	0.097	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	120.6690	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	118.7530	0.345	7	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	119.3441	0.414	13	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.2895	0.618	244	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	119.0259	0.619	38	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>}	118.3770	0.031	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	119.2762	0.549	21	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	119.5850	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	118.6919	2.731	16	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.0289	0.515	32	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.2978	0.711	40	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.2171	0.718	321	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>}	118.9615	0.651	16	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<4>,1|C<3>,1|H<1>}	118.3197	1.858	7	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<5>,1|C<3>,1|H<1>}	120.6020	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	118.8557	0.651	7	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<7>,1|C<3>,1|H<1>}	118.4620	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	118.8960	0.247	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.2052	0.747	152	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	118.6580	0.138	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|H<1>}	119.1205	0.718	8	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<7>,1|C<3>,1|H<1>}	118.4825	0.136	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.1053	1.112	68	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	119.2465	0.127	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	119.5908	0.771	16	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	119.4150	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	119.1074	0.642	90	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<7>,1|C<3>,1|H<1>}	118.8930	0.765	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	120.9314	3.406	7	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	119.3214	1.080	20	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<7>,1|C<3>,1|H<1>}	118.8853	0.410	3	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	119.0877	0.501	14	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	119.2532	0.716	17	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.6661	0.828	98	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|H<1>}	118.4685	0.303	4	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	118.5280	0.055	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	118.9902	0.755	22	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<4>,1|C<3>,1|H<1>}	120.4389	1.002	9	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sr<10>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sr<10>,1|C<3>,1|H<1>}	118.9090	0.116	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ta<10>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ta<10>,1|C<3>,1|H<1>}	118.8500	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Tc<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	118.8195	0.030	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Tc<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Tc<7>,1|C<3>,1|H<1>}	119.4038	0.849	4	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.0816	0.628	61	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.3058	0.851	133	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.3075	0.652	75	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.4865	0.906	6	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<8>,1|C<3>,1|H<1>}	119.7285	0.158	4	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<7>,1|C<3>,1|H<1>}	120.0040	0.851	4	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<10>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<10>,1|C<3>,1|H<1>}	118.8295	0.448	2	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ti<10>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<10>,1|C<3>,1|H<1>}	119.3700	0.000	1	119.2217	0.668	5543	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.1146	0.217	5	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.7460	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<4>,1|C<3>,1|H<1>}	119.4820	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	121.4230	1.554	3	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.0814	0.264	5	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	118.8560	0.103	2	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	118.7322	1.071	5	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	118.4938	0.473	5	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.0760	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.2027	0.224	3	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.8620	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.6025	0.766	2	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	118.5137	0.284	6	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	117.6382	0.581	4	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<3>,1|H<1>}	118.0922	0.455	6	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	117.8270	0.011	2	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	117.9950	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.7650	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	120.5093	0.498	4	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<7>,1|C<3>,1|H<1>}	119.2280	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|N<5>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<4>,1|C<3>,1|H<1>}	116.6440	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|N<5>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<4>,1|C<3>,1|H<1>}	118.1860	0.318	2	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|N<5>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	119.8500	0.000	2	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	120.3610	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	121.3249	0.967	52	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	119.4730	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	120.0790	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	119.8830	0.452	9	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<7>,1|C<3>,1|H<1>}	119.2065	0.203	2	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.9595	0.835	14	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.0473	0.568	3	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.7455	0.197	2	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|H<1>}	120.2660	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.3860	0.000	1	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.6563	0.376	13	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.6750	1.502	4	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Sn<4>,1|C<3>,1|H<1>}	120.7550	0.209	2	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.3613	0.125	3	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	120.1193	0.575	19	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	120.0025	0.981	2	120.0445	1.606	194	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	120.5450	0.081	2	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cd<4>,1|C<3>,1|H<1>}	120.5150	0.000	1	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cd<5>,1|C<3>,1|H<1>}	121.1165	0.063	2	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cd<6>,1|C<3>,1|H<1>}	120.4015	0.363	2	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.8965	0.315	2	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.9580	1.786	2	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.4600	0.000	1	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.8760	0.000	1	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.3325	0.309	4	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Sn<6>,1|C<3>,1|H<1>}	116.3325	0.856	2	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Zn<3>,1|C<3>,1|H<1>}	120.5400	0.000	1	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.6900	1.563	12	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	119.9970	0.000	1	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Al<4>,1|C<3>,1|H<1>}	121.0420	0.000	1	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	121.2525	0.347	2	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.8449	0.589	7	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.4176	0.273	5	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.9220	0.492	6	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.9145	0.090	2	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Rh<4>,1|C<3>,1|H<1>}	120.0940	0.446	4	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<5>,1|C<3>,1|H<1>}	119.3990	0.311	2	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.4622	0.394	5	119.9984	1.494	67	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	119.4970	0.000	1	119.0381	0.653	29	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.1870	0.000	1	119.0381	0.653	29	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Mo<6>,1|C<3>,1|H<1>}	117.6790	0.090	3	119.0381	0.653	29	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.8060	0.154	4	119.0381	0.653	29	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	120.6980	0.000	1	119.0381	0.653	29	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<3>,1|C<3>,1|H<1>}	119.1568	0.423	11	119.0381	0.653	29	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.9490	0.107	3	119.0381	0.653	29	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Li<4>,1|C<3>,1|H<1>}	118.6015	0.422	2	119.0381	0.653	29	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Mo<6>,1|C<3>,1|H<1>}	119.0260	0.000	1	119.0381	0.653	29	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Mo<7>,1|C<3>,1|H<1>}	117.8300	0.742	2	119.0381	0.653	29	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	121.0060	0.000	1	119.6362	0.692	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.1570	0.537	2	119.6362	0.692	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.4305	0.247	2	119.6362	0.692	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]U)(H)	C[6](C[6]C[6]H)2(H){1|U<11>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|U<11>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]U)(H){1|C<3>,1|H<1>}	119.7430	0.000	1	119.7430	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]V)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|V<6>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(C[6]N[6]V)(H){1|C<3>,1|H<1>}	119.9960	0.000	1	119.9960	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ni<4>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.5045	0.172	2	120.5045	0.030	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Os<7>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<7>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Os)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.5250	0.000	1	120.5250	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zr<13>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.3550	0.000	1	120.2845	0.010	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Zr<9>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zr<9>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.2140	0.000	1	120.2845	0.010	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|F<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.8585	0.127	2	119.8585	0.016	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|F<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.2720	0.185	4	119.2720	0.034	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|F<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.5650	0.000	1	118.5650	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>,1|H<1>}	119.8410	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	119.4170	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<5>,1|C<3>,1|H<1>}	119.2823	0.714	3	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<3>,1|C<3>,1|H<1>}	119.0950	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	119.0861	0.576	15	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	118.2934	0.288	5	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<4>,1|C<3>,1|H<1>}	118.8060	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	119.1596	1.560	12	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	118.8721	0.521	83	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	118.8917	0.264	7	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	120.0145	1.712	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ba<13>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ba<13>,1|C<3>,1|H<1>}	118.2850	0.417	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ba<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ba<5>,1|C<3>,1|H<1>}	119.5645	0.466	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Be<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Be<4>,1|C<3>,1|H<1>}	118.3865	0.083	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<5>,1|C<3>,1|H<1>}	119.2805	0.111	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<6>,1|C<3>,1|H<1>}	118.2640	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.3799	1.045	328	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	119.4415	0.145	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	120.3980	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|F<1>,1|H<1>}	119.3810	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	118.8990	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<2>}	119.0132	0.339	19	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<3>}	118.7640	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	119.6154	1.102	25	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.4648	0.949	22	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.8040	0.540	23	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	119.2230	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	119.7619	0.936	9	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|U<8>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|U<8>}	118.1705	0.705	4	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<5>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<5>}	118.8340	0.181	5	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<6>}	118.7381	0.330	7	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	119.1092	1.420	10	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<7>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<7>}	119.1480	0.466	3	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<8>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<8>}	118.6783	0.331	3	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<9>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<9>}	120.9880	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.9252	1.314	255	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<12>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<12>,1|C<3>,1|H<1>}	119.1355	0.080	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<6>,1|C<3>,1|H<1>}	118.8445	0.196	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	118.7750	0.553	6	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	119.2274	0.474	5	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	118.7831	0.702	18	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<3>,1|C<3>,1|H<1>}	118.7780	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	119.4798	1.131	9	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	118.8446	0.751	9	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	118.6995	0.771	141	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	118.5540	0.307	3	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<5>,1|C<3>,1|H<1>}	118.6327	0.542	3	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	118.7670	0.696	10	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<9>,1|C<3>,1|H<1>}	117.5850	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	118.6905	0.400	4	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.9597	1.307	63	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	118.9110	0.940	62	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	118.6184	0.547	14	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	118.6047	0.338	10	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	118.5674	0.403	32	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.7241	0.706	59	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<7>,1|C<3>,1|H<1>}	118.5795	0.207	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<8>,1|C<3>,1|H<1>}	117.9225	0.289	8	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	119.1726	0.500	12	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	118.4770	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ge<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ge<5>,1|C<3>,1|H<1>}	119.4620	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.4460	0.555	21	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	119.0165	0.343	4	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	118.9971	0.403	9	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<3>,1|C<3>,1|H<1>}	117.5320	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.7219	0.974	28	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	117.9190	1.847	4	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<3>,1|C<3>,1|H<1>}	118.9952	0.319	4	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	118.7606	0.761	22	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<5>,1|C<3>,1|H<1>}	118.0600	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	118.8346	0.276	10	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	119.6000	0.374	3	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	118.9450	0.653	9	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<3>,1|C<3>,1|H<1>}	119.3360	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<4>,1|C<3>,1|H<1>}	118.8951	0.243	9	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	119.0460	0.269	7	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	118.5811	0.688	42	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	118.6633	0.411	11	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<9>,1|C<3>,1|H<1>}	119.7800	1.789	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<5>,1|C<3>,1|H<1>}	118.2115	0.628	4	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	118.3573	0.509	23	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	118.9500	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	118.2404	0.163	5	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	119.1700	1.095	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	118.9452	0.458	9	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	118.2189	0.822	7	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<8>,1|C<3>,1|H<1>}	118.2540	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<3>,1|C<3>,1|H<1>}	118.8200	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	118.7489	0.427	53	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	118.6712	0.465	12	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.5751	0.645	94	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>}	118.2230	1.292	4	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Np<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Np<7>,1|C<3>,1|H<1>}	118.8795	0.087	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<5>,1|C<3>,1|H<1>}	116.5540	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	118.0353	1.348	6	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<7>,1|C<3>,1|H<1>}	118.5355	0.993	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	119.0385	0.613	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.9621	1.331	213	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	119.7830	1.170	5	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.8830	0.804	59	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	119.3638	0.424	5	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	118.5884	0.685	10	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pu<11>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pu<11>,1|C<3>,1|H<1>}	118.5825	0.207	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pu<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pu<7>,1|C<3>,1|H<1>}	116.8940	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	118.8323	1.989	12	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.3028	0.768	42	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	119.2282	0.733	6	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	119.3473	1.858	4	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	118.5134	0.505	26	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	118.6724	0.588	5	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	118.8052	0.524	17	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.4858	0.659	100	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|H<1>}	117.5640	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	118.4800	0.188	6	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	118.6870	0.544	6	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sc<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sc<8>,1|C<3>,1|H<1>}	118.0120	0.049	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sc<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sc<9>,1|C<3>,1|H<1>}	118.5010	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	118.3235	0.790	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	118.5890	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<12>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<12>,1|C<3>,1|H<1>}	119.1625	0.804	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<14>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<14>,1|C<3>,1|H<1>}	119.1215	0.887	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	119.5150	0.553	3	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<9>,1|C<3>,1|H<1>}	119.3180	0.455	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sr<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sr<5>,1|C<3>,1|H<1>}	119.2237	0.196	3	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sr<6>,1|C<3>,1|H<1>}	119.1097	0.376	3	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ta<10>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ta<10>,1|C<3>,1|H<1>}	118.9680	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ta<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ta<8>,1|C<3>,1|H<1>}	117.5840	1.647	3	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	118.4741	1.260	11	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<10>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<10>,1|C<3>,1|H<1>}	118.9687	0.355	3	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<12>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<12>,1|C<3>,1|H<1>}	118.3217	0.450	6	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<5>,1|C<3>,1|H<1>}	119.0848	0.384	5	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<6>,1|C<3>,1|H<1>}	118.3961	0.574	14	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<7>,1|C<3>,1|H<1>}	118.6940	0.205	6	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<8>,1|C<3>,1|H<1>}	118.8589	0.224	7	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<9>,1|C<3>,1|H<1>}	118.5270	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|V<11>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|V<11>,1|C<3>,1|H<1>}	118.6725	0.042	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.0708	0.984	38	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	118.9118	0.870	61	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	118.7210	0.495	14	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<10>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<10>,1|C<3>,1|H<1>}	118.7350	0.000	1	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<7>,1|C<3>,1|H<1>}	118.7815	0.351	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<9>,1|C<3>,1|H<1>}	119.0415	0.332	2	118.9868	1.063	2474	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]I)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|I<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	119.0677	0.826	3	119.9087	0.773	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]I)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|I<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]I)(H){1|C<3>,2|H<1>}	120.2691	0.653	7	119.9087	0.773	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<3>,1|H<1>}	119.0178	0.124	4	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	120.1055	0.452	11	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	119.4890	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	121.0809	0.527	21	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	118.7855	0.704	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	119.6273	0.267	4	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<7>,1|C<3>,1|H<1>}	119.5850	0.190	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	119.3989	0.639	8	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.9080	0.853	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.4037	0.232	3	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	119.6200	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.7787	0.189	3	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.7810	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.0380	0.241	5	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	118.8708	0.736	5	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<6>,1|C<3>,1|H<1>}	119.6672	0.475	12	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<8>,1|C<3>,1|H<1>}	119.4525	0.220	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.1892	0.425	14	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<6>,1|C<3>,1|H<1>}	119.0840	0.781	10	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<9>,1|C<3>,1|H<1>}	119.0395	0.186	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.2930	0.389	6	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	117.9294	1.012	9	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<5>,1|C<3>,1|H<1>}	119.2500	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	119.3078	0.829	15	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<7>,1|C<3>,1|H<1>}	119.9210	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<5>,1|C<3>,1|H<1>}	119.7677	0.443	3	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<6>,1|C<3>,1|H<1>}	119.8050	0.663	3	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<8>,1|C<3>,1|H<1>}	119.2800	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.2369	0.824	15	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	119.3345	0.098	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.2850	0.383	3	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.6711	0.251	7	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.9575	0.078	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.0855	0.327	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.6725	0.088	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	121.2760	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ag<4>,1|C<3>,1|H<1>}	119.6674	0.903	8	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<4>,1|C<3>,1|H<1>}	119.4750	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<3>,1|H<1>}	120.9715	0.380	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<6>,1|C<3>,1|H<1>}	120.7540	0.231	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<3>,1|C<3>,1|H<1>}	120.9485	0.578	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	119.6940	0.301	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<5>,1|C<3>,1|H<1>}	120.5075	0.201	4	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	119.7394	0.883	23	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	119.7974	0.423	13	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	119.9428	0.383	8	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<6>}	120.2050	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	120.7812	0.509	207	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ca<8>,1|C<3>,1|H<1>}	119.8005	0.207	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<4>,1|C<3>,1|H<1>}	120.1590	0.240	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<5>,1|C<3>,1|H<1>}	119.6550	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<6>,1|C<3>,1|H<1>}	119.9195	0.136	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<8>,1|C<3>,1|H<1>}	119.9960	0.370	4	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	119.6553	0.674	23	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	119.4627	0.438	142	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	119.4407	0.931	24	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<7>,1|C<3>,1|H<1>}	119.6102	0.307	10	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<8>,1|C<3>,1|H<1>}	119.7690	0.366	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<5>,1|C<3>,1|H<1>}	119.5602	0.510	23	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	119.8458	0.465	25	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<8>,1|C<3>,1|H<1>}	119.3825	0.011	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|H<1>}	119.7634	0.547	5	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.5092	0.429	33	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.6398	0.439	42	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.3290	0.292	16	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	119.7298	0.232	12	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.5396	0.558	12	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.1944	0.705	80	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	121.3120	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.8951	0.595	15	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	120.0480	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|H<1>}	120.0000	0.218	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	120.3770	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mg<6>,1|C<3>,1|H<1>}	120.8980	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<4>,1|C<3>,1|H<1>}	120.0215	0.241	6	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<5>,1|C<3>,1|H<1>}	119.5400	0.342	4	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.6451	0.704	16	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<7>,1|C<3>,1|H<1>}	119.7688	0.419	5	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<6>,1|C<3>,1|H<1>}	119.6745	0.428	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<9>,1|C<3>,1|H<1>}	119.8760	0.936	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.5394	0.704	10	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.6069	0.558	36	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.2747	0.503	15	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<8>,1|C<3>,1|H<1>}	119.7095	0.380	4	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<5>,1|C<3>,1|H<1>}	119.5493	0.949	16	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<6>,1|C<3>,1|H<1>}	119.4583	0.183	3	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.6839	0.693	51	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<5>,1|C<3>,1|H<1>}	119.1436	1.255	7	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<6>,1|C<3>,1|H<1>}	119.1940	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.5480	0.949	45	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<5>,1|C<3>,1|H<1>}	119.9100	0.000	1	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<6>,1|C<3>,1|H<1>}	119.1312	0.934	5	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	119.2737	0.772	26	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<5>,1|C<3>,1|H<1>}	119.4044	0.745	23	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<6>,1|C<3>,1|H<1>}	119.6070	0.647	6	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	119.7510	1.091	40	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.1237	1.180	9	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<3>,1|H<1>}	119.5766	0.362	9	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	119.6742	0.292	14	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.1212	0.599	13	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Sn<6>,1|C<3>,1|H<1>}	120.5965	0.097	2	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.7494	0.760	38	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	120.0602	0.780	13	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.2562	0.192	4	119.7459	0.707	1368	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.3358	0.456	4	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|I<3>}	120.5170	0.266	2	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<9>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|W<9>}	119.7800	0.000	1	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	120.8813	0.439	18	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<6>,1|C<3>,1|H<1>}	119.2365	0.487	2	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<7>,1|C<3>,1|H<1>}	119.7775	0.709	2	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.1520	0.585	2	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.4195	0.067	2	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	120.3753	0.164	3	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Hg<4>,1|C<3>,1|H<1>}	119.6540	0.160	2	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<4>,1|C<3>,1|H<1>}	118.2910	2.094	2	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<7>,1|C<3>,1|H<1>}	119.6655	0.926	2	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Mo<9>,1|C<3>,1|H<1>}	119.7550	0.000	1	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Os<6>,1|C<3>,1|H<1>}	119.8540	0.000	1	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.2589	0.712	8	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.7740	0.000	1	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Re<6>,1|C<3>,1|H<1>}	119.0490	0.000	1	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Rh<8>,1|C<3>,1|H<1>}	121.1640	0.000	1	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<9>,1|C<3>,1|H<1>}	120.0115	0.001	2	120.1093	0.791	57	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Ag<4>,1|C<3>,1|H<1>}	118.1930	0.000	1	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|H<1>,1|W<6>}	119.3085	0.248	2	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.4167	0.265	11	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|H<1>,2|C<3>}	119.6560	0.325	4	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Li<4>,1|C<3>,1|H<1>}	119.4365	0.343	4	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Zn<4>,1|C<3>,1|H<1>}	118.7290	0.000	1	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Ag<6>,1|C<3>,1|H<1>}	119.7027	0.394	3	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|C<4>,1|H<1>}	119.2505	0.367	2	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|H<1>,1|O<2>}	119.1990	0.000	1	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	119.7383	0.588	7	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Co<4>,1|C<3>,1|H<1>}	118.6280	0.816	2	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Co<6>,1|C<3>,1|H<1>}	119.1010	0.339	3	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<3>,1|C<3>,1|H<1>}	119.1160	0.220	4	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.0419	0.662	83	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.2370	0.000	1	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.4040	0.195	3	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|H<1>,2|C<3>}	119.3490	0.000	1	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Ir<7>,1|C<3>,1|H<1>}	118.3763	1.015	3	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Ir<8>,1|C<3>,1|H<1>}	118.5425	1.076	2	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.0360	0.725	2	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Rh<4>,1|C<3>,1|H<1>}	119.1640	0.000	1	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Rh<8>,1|C<3>,1|H<1>}	118.0280	0.000	1	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.2530	0.000	1	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<5>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|C<4>,1|H<1>}	119.0910	0.000	1	119.0319	0.431	144	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	120.2120	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	123.1470	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	119.7510	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Si<5>,1|C<3>,1|H<1>}	120.4957	0.628	3	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<3>,1|H<1>}	119.3961	0.688	9	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	119.5433	0.494	4	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	121.4200	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	119.2470	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	119.6705	0.563	21	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	119.3766	0.459	15	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	120.6083	0.746	26	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Co<6>,1|C<3>,1|H<1>}	120.5497	0.417	3	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Co<8>,1|C<3>,1|H<1>}	119.1110	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Cr<5>,1|C<3>,1|H<1>}	119.1630	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	119.8020	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.1235	0.624	2	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Mo<7>,1|C<3>,1|H<1>}	120.3420	0.767	4	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Mo<8>,1|C<3>,1|H<1>}	119.4970	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Mo<9>,1|C<3>,1|H<1>}	121.5050	1.447	2	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.8220	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.1665	0.193	2	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.4379	0.331	7	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<8>,1|C<3>,1|H<1>}	118.8430	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.7766	0.881	5	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Si<4>,1|C<3>,1|H<1>}	119.9310	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Sn<4>,1|C<3>,1|H<1>}	119.4173	0.537	9	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Sn<5>,1|C<3>,1|H<1>}	119.5252	0.373	6	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Sn<6>,1|C<3>,1|H<1>}	120.7863	0.503	3	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Zn<4>,1|C<3>,1|H<1>}	118.5930	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.7320	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	120.3307	0.660	4	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.9360	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Mo<8>,1|C<3>,1|H<1>}	120.0140	0.000	1	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Mo<9>,1|C<3>,1|H<1>}	120.2605	0.245	2	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.1590	0.457	4	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.1013	0.440	3	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Re<6>,1|C<3>,1|H<1>}	118.3955	0.575	2	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.7373	0.236	3	119.8426	0.732	155	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]U)(H)	C[6](C[6]C[6]H)2(H){1|U<11>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|U<11>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]U)(H){1|C<3>,1|H<1>}	120.1450	0.000	1	120.1450	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Mo<6>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.9350	0.000	1	119.9350	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<10>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<10>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.0890	0.113	2	121.0890	0.013	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]Th)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Th<14>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Th<14>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Th)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.9880	0.000	1	120.9880	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<13>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.8110	0.000	1	119.8110	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	120.9960	0.168	2	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	122.0605	0.327	11	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	120.4830	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.1967	0.651	3	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.7585	0.077	2	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<4>,1|C<3>,1|H<1>}	121.6710	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.0910	0.663	2	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	120.8650	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	122.5377	0.340	3	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	120.2250	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.1030	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	118.4960	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.4790	0.839	2	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Sn<6>,1|C<3>,1|H<1>}	118.7150	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.6250	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	120.8350	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|N<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.3495	0.718	2	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	121.0653	0.359	4	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<6>}	120.2630	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<7>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<7>}	121.3570	0.180	3	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	122.2124	0.504	51	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<5>,1|C<3>,1|H<1>}	119.2750	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	120.9285	0.363	2	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	120.3490	0.068	2	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	120.0397	0.872	4	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	120.2650	0.622	6	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	121.2392	0.682	8	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.8515	0.319	2	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	120.8558	0.440	4	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.5943	0.250	4	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.6842	0.636	23	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<7>,1|C<3>,1|H<1>}	120.8787	0.676	3	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<4>,1|C<3>,1|H<1>}	119.0210	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	120.8265	1.030	2	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<6>,1|C<3>,1|H<1>}	120.6823	0.266	7	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<7>,1|C<3>,1|H<1>}	120.6423	0.163	3	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	120.9905	0.451	11	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	121.1426	0.775	5	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.9632	0.522	5	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.7390	0.055	2	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	121.8260	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<4>,1|C<3>,1|H<1>}	120.6627	0.900	3	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	121.1470	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.3610	0.276	2	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	120.3240	0.000	1	121.1733	0.978	198	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.2570	0.557	2	119.4837	0.309	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|O<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<7>,1|C<3>,1|H<1>}	119.9370	0.000	1	119.4837	0.309	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|S<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	120.5180	0.000	1	120.5180	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|W<6>}	120.7870	0.000	1	120.9053	0.407	30	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<5>,1|C<3>,1|H<1>}	120.4900	0.689	2	120.9053	0.407	30	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.5550	1.067	3	120.9053	0.407	30	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<4>,1|C<3>,1|H<1>}	120.8225	0.460	4	120.9053	0.407	30	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Mo<6>,1|C<3>,1|H<1>}	120.7010	0.359	2	120.9053	0.407	30	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	121.1470	0.000	1	120.9053	0.407	30	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.9610	0.293	2	120.9053	0.407	30	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	121.4745	0.665	2	120.9053	0.407	30	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Re<6>,1|C<3>,1|H<1>}	120.8630	0.064	2	120.9053	0.407	30	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Rh<4>,1|C<3>,1|H<1>}	120.8657	0.792	7	120.9053	0.407	30	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.5577	0.590	4	120.9053	0.407	30	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,1|O<2>,1|S<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<6>,1|C<3>,1|H<1>}	119.9990	0.000	1	119.9990	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.1665	0.192	2	119.1665	0.037	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<6>,1|C<3>,1|H<1>}	118.7163	0.608	7	118.5731	1.331	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<7>,1|C<3>,1|H<1>}	118.0317	0.619	3	118.5731	1.331	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<8>,1|C<3>,1|H<1>}	118.7803	2.432	3	118.5731	1.331	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)2(H){1|O<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]O[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]O[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	119.7390	0.000	1	119.7390	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]C)(H)	C[6](C[6]C[6]H)(C[6]P[6]C)(H)	C[6](C[6]C[6]H)2(H){1|P<4>,2|C<2>}	C[6](C[6]C[6]H)(C[6]P[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]P[6]C)(H){1|H<1>,3|C<3>}	122.3027	0.823	3	122.3027	0.677	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]C)(H)	C[6](C[6]C[6]H)(C[6]P[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|O<2>,1|P<3>}	C[6](C[6]C[6]H)(C[6]P[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]P[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	124.6755	0.168	2	124.6755	0.028	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(H)	C[6](C[6]C[6]H)2(H){1|P<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]P[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]P[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	121.2010	0.000	1	121.2010	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|O<2>,1|P<3>}	C[6](C[6]C[6]H)(C[6]P[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]P[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	123.7040	0.000	1	124.1405	0.381	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]O)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|O<2>,1|P<4>}	C[6](C[6]C[6]H)(C[6]P[6]H)(H){2|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]P[6]O)(H){2|Cu<4>,1|C<3>,1|H<1>}	124.5770	0.000	1	124.1405	0.381	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.8071	2.956	28	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	119.5588	0.935	4	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	119.6977	0.841	7	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Al<7>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Al<7>,1|C<3>,1|H<1>,1|H<2>}	119.6190	0.127	2	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,2|H<1>}	120.0350	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	117.2470	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	118.8050	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.9084	0.465	23	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cr<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cr<5>,1|C<3>,1|C<4>,1|H<1>}	119.4940	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cu<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cu<4>,1|C<3>,1|C<4>,1|H<1>}	119.8525	0.316	2	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cu<5>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cu<5>,1|B<4>,1|C<3>,1|H<1>}	121.3870	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Er<16>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Er<16>,1|C<3>,1|H<1>,1|N<3>}	118.7670	2.131	4	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ge<5>,1|Pd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ge<5>,1|Pd<5>,1|C<3>,1|H<1>}	120.0070	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Hf<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Hf<9>,1|C<3>,1|C<4>,1|H<1>}	119.2460	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Li<4>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Li<4>,1|C<3>,1|H<1>,1|N<4>}	117.7560	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Li<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Li<5>,1|C<3>,1|C<4>,1|H<1>}	119.4550	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Mo<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Mo<5>,1|C<3>,1|C<4>,1|H<1>}	119.7780	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|B<4>,1|C<3>,1|H<1>}	119.5290	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	119.9940	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|B<4>,1|C<3>,1|H<1>}	119.7940	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Pt<6>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Pt<6>,1|B<4>,1|C<3>,1|H<1>}	119.2940	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,2|H<1>}	121.1340	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ta<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ta<10>,1|C<3>,1|H<1>,1|N<3>}	119.8265	0.416	2	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ta<6>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ta<6>,1|C<3>,1|C<4>,1|H<1>}	118.7530	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ta<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ta<9>,1|C<3>,1|H<1>,1|N<3>}	119.1732	1.408	4	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ti<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ti<10>,1|C<3>,1|H<1>,1|N<3>}	119.9940	0.013	2	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ti<11>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ti<11>,1|C<3>,1|C<4>,1|H<1>}	118.7030	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|U<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|U<15>,1|C<3>,1|H<1>,1|N<3>}	118.9440	1.174	2	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zn<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zn<4>,1|C<3>,2|H<1>}	121.0170	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|C<3>,1|C<4>,1|H<1>}	119.3355	0.886	2	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Zr<11>,1|C<3>,1|H<1>,1|N<3>}	120.7427	1.144	3	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<12>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<12>,1|C<3>,1|C<4>,1|H<1>}	119.2880	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|H<1>,2|C<3>}	120.0220	0.161	2	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<8>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<8>,1|C<3>,1|C<4>,1|H<1>}	120.4780	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<9>,1|C<3>,1|C<4>,1|H<1>}	119.5870	0.294	2	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){2|Cu<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Cu<2>,1|C<3>,1|H<1>}	120.0390	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){2|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Li<4>,1|C<3>,1|H<1>}	118.8347	0.342	4	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){2|Mg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Mg<4>,1|C<3>,1|H<1>}	119.6520	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){2|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Zn<4>,1|C<3>,1|H<1>}	119.7000	0.000	1	119.6801	2.674	116	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<2>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.8830	0.000	1	119.8830	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,1|V<7>,2|C<4>}	118.7090	0.000	1	118.7090	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Li<4>,1|C<3>,1|H<1>}	118.3535	0.293	2	118.3535	0.086	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	118.9580	0.277	3	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	117.7820	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.2270	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	118.0850	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.4510	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<3>,1|C<3>,1|H<1>}	119.4770	0.027	2	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	119.4680	0.111	4	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<4>,1|C<3>,1|H<1>}	119.9338	0.236	4	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	120.1762	0.471	6	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	119.5162	0.625	10	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.5734	0.662	14	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.1050	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.6025	0.545	46	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.0836	0.333	9	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.7520	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	120.6055	0.139	2	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.3043	0.419	6	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.7995	0.614	22	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	120.0160	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<4>,1|C<3>,1|H<1>}	120.2305	0.941	2	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	119.5285	0.267	2	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.9758	0.312	4	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.3913	0.279	3	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.9821	0.727	9	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.6470	1.019	3	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.7740	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	118.9615	0.344	8	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.7213	1.073	11	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.9589	0.563	8	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	120.3103	0.768	7	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	121.2940	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	120.1755	0.835	10	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.4913	0.292	6	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	121.0970	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.9010	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.8135	0.200	4	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	120.4950	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.5042	0.686	12	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	125.7165	0.684	2	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.0747	0.473	4	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.3741	2.552	16	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.3738	0.567	5	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.5273	0.949	3	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.6420	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.8910	1.048	2	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	120.3595	0.190	2	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	118.8437	0.207	3	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.5690	0.000	1	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.5610	0.892	2	119.8116	1.109	270	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|F<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.5725	0.360	4	119.6870	0.111	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|F<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.9160	0.085	2	119.6870	0.111	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>,1|H<1>}	119.7763	0.996	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	119.3947	1.215	24	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<5>,1|C<3>,1|H<1>}	118.5980	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<5>,1|C<3>,1|H<1>}	119.0883	1.321	8	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<6>,1|C<3>,1|H<1>}	118.8320	0.038	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	119.7620	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	119.7286	0.660	9	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	119.4965	0.665	6	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<4>,1|C<3>,1|H<1>}	118.2475	0.989	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Au<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<5>,1|C<3>,1|H<1>}	118.7080	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ba<12>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ba<12>,1|C<3>,1|H<1>}	119.6795	0.042	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<5>,1|C<3>,1|H<1>}	120.5825	0.405	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<6>,1|C<3>,1|H<1>}	119.4005	0.173	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<7>,1|C<3>,1|H<1>}	119.7825	0.069	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.2580	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.1920	0.036	3	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.4195	1.642	6	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	119.1705	0.284	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	119.3928	0.899	17	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	119.5456	0.701	73	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<7>,1|C<3>,1|H<1>}	120.0083	0.528	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	118.9055	0.708	13	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	119.5104	0.479	22	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	118.1100	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.1935	0.824	31	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	118.8000	1.396	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.4242	0.944	495	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	119.3353	0.530	34	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	119.4330	0.355	3	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	119.2578	0.462	68	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	119.4317	0.488	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	118.9650	0.216	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.1695	0.490	10	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.5372	0.767	87	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.3690	0.279	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.5705	0.356	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.1014	0.625	10	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.5505	1.129	315	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.3684	1.136	73	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<7>,1|C<3>,1|H<1>}	119.3675	0.107	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<10>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<10>,1|C<3>,1|H<1>}	118.7325	0.385	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<13>,1|C<3>,1|H<1>}	118.7635	0.148	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<8>,1|C<3>,1|H<1>}	118.4835	0.042	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<8>,1|C<3>,1|H<1>}	119.1160	0.665	10	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	119.1530	0.399	5	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.4265	0.390	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	118.7155	0.271	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	118.8624	0.762	10	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.9636	0.346	10	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.0765	0.056	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.2307	1.112	244	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.2968	0.220	5	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.9367	0.403	21	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<5>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<5>}	119.4740	0.178	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<6>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<6>}	119.3817	0.280	20	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<7>}	119.5215	1.377	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<8>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<8>}	119.4380	0.360	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|W<6>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	118.9157	0.494	7	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|W<8>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<8>}	119.0480	0.288	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|P<3>,1|W<6>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	118.7918	0.867	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	119.5568	0.414	6	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<5>,1|C<3>,1|H<1>}	120.1522	0.713	8	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.2595	0.234	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.3389	0.763	90	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	120.2584	3.227	8	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	119.3337	0.716	3	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.4289	0.865	32	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	119.4685	0.155	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<5>,1|C<3>,1|H<1>}	119.0670	0.123	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<5>,1|C<3>,1|H<1>}	119.6160	0.037	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mg<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	119.7015	0.103	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mg<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	119.2490	0.759	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mg<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	119.3330	0.811	3	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<4>,1|C<3>,1|H<1>}	119.3200	0.092	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	118.9893	0.867	6	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	118.9563	1.065	23	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	118.7890	0.937	11	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.4164	0.654	281	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	119.7318	0.273	12	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>}	118.9027	0.380	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	119.1506	0.870	46	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|P<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	118.2730	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	118.4787	0.696	6	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	119.2800	0.434	5	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	119.5380	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	118.9435	0.196	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.9236	0.972	31	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.0027	0.628	40	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.5121	0.503	11	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.8539	0.523	27	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.4994	1.004	422	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>}	119.7294	0.359	5	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	119.1778	1.212	189	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<8>,1|C<3>,1|H<1>}	119.1095	0.873	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<3>,1|C<3>,1|H<1>}	119.3695	0.091	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.9714	0.331	8	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.3364	0.748	163	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.9460	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	119.2810	0.453	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|H<1>}	119.1645	0.297	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<7>,1|C<3>,1|H<1>}	119.3805	0.120	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.5915	0.302	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.2383	0.333	3	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.3154	0.870	366	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.2637	1.837	3	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	119.8360	0.198	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	119.3280	0.714	63	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	118.7996	1.153	9	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	119.3800	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.3206	0.992	10	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	119.2631	1.313	218	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<7>,1|C<3>,1|H<1>}	119.3145	0.050	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	119.1372	0.723	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	119.7237	0.526	10	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	119.3855	0.659	16	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<7>,1|C<3>,1|H<1>}	118.6847	0.377	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	119.2121	0.289	19	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<10>,1|C<3>,1|H<1>}	118.9420	0.351	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	119.3415	0.341	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.8387	0.356	16	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.1625	0.874	891	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|H<1>}	118.8470	0.588	26	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	119.0499	0.290	15	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.1908	0.427	25	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sb<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sb<5>,1|C<3>,1|H<1>}	118.8700	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<13>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<13>,1|C<3>,1|H<1>}	118.1260	0.611	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<14>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<14>,1|C<3>,1|H<1>}	118.4650	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<15>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<15>,1|C<3>,1|H<1>}	119.1220	1.213	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	119.6393	0.701	10	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sn<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<7>,1|C<3>,1|H<1>}	119.1475	0.425	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sn<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<8>,1|C<3>,1|H<1>}	119.3685	0.200	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sr<12>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sr<12>,1|C<3>,1|H<1>}	119.8360	0.148	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ti<11>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<11>,1|C<3>,1|H<1>}	118.7770	0.066	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ti<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<6>,1|C<3>,1|H<1>}	120.5970	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<3>,1|C<3>,1|H<1>}	119.3690	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.7070	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.7000	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.7591	0.483	36	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.4668	0.553	137	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	118.7603	0.510	3	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.5673	0.860	100	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zr<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<8>,1|C<3>,1|H<1>}	119.2605	0.650	4	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.3910	0.034	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.6193	0.181	3	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	119.2220	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	118.4380	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<4>,1|C<3>,1|H<1>}	118.7825	0.114	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	118.7000	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<9>,1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.7810	0.783	7	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<9>,1|Pd<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	119.1700	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<9>,1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.4154	0.323	10	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.1495	0.286	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.1528	0.705	5	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	118.8865	0.285	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.9460	0.536	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<11>,1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.3610	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	118.8890	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<7>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	118.4250	0.588	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	118.5490	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.9680	0.359	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.6150	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>}	118.5970	0.239	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.6600	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<12>,1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.2190	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.0030	0.000	1	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.1900	0.231	2	119.3231	0.855	5262	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	120.5253	0.288	3	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|N<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	119.9920	0.000	1	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	120.1840	1.025	2	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.6530	0.201	13	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.0575	0.240	2	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	120.6170	0.000	1	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.4456	0.747	16	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.9225	0.231	2	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.4975	0.357	11	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	120.3398	0.711	6	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.5820	0.653	3	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	119.7420	0.000	1	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	121.8675	0.658	2	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.4257	0.639	3	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.8915	0.337	2	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	119.6420	0.004	2	120.1030	0.490	70	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.4947	0.296	4	119.9937	0.340	39	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	120.3912	0.389	4	119.9937	0.340	39	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<6>,1|C<3>,1|H<1>}	120.4005	0.493	2	119.9937	0.340	39	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<8>,1|C<3>,1|H<1>}	120.3945	0.323	6	119.9937	0.340	39	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.5690	0.206	12	119.9937	0.340	39	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.8720	0.000	1	119.9937	0.340	39	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.9830	0.791	4	119.9937	0.340	39	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.1182	0.840	4	119.9937	0.340	39	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.4680	0.130	2	119.9937	0.340	39	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<4>,1|C<3>,1|H<1>}	119.7280	0.051	2	119.9556	0.362	14	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Re<6>,1|C<3>,1|H<1>}	118.6430	0.000	1	119.9556	0.362	14	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Al<5>,1|C<3>,1|H<1>}	120.1178	0.537	10	119.9556	0.362	14	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Zn<3>,1|C<3>,1|H<1>}	120.1020	0.000	1	119.9556	0.362	14	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|S<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Co<6>,1|C<3>,1|H<1>}	119.2085	0.298	2	119.2085	0.089	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	122.0250	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	119.1400	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	120.9358	0.278	5	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	121.1400	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<7>,1|H<1>,1|N<3>,2|C<3>}	120.6440	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|V<7>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|V<7>,2|C<3>}	119.0680	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|V<8>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|V<8>,2|C<3>}	118.6330	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	120.0380	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	119.9150	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	120.3350	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	120.4745	0.627	2	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	120.6692	0.703	49	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	120.3483	0.632	12	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<8>,1|H<1>,1|N<3>,2|C<3>}	121.6570	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	119.3870	0.142	4	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	121.0759	0.412	17	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<10>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<10>,1|H<1>,1|N<3>,2|C<3>}	120.3940	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	118.8580	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<8>,1|H<1>,1|N<3>,2|C<3>}	119.9410	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	119.8682	0.650	5	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	120.0807	0.059	3	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	120.4317	0.788	24	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.4020	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<5>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<5>,2|C<3>}	120.9780	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	120.1740	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<5>,1|H<1>,1|N<3>,2|C<3>}	119.9960	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	120.8901	0.829	7	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<5>,1|H<1>,1|N<3>,2|C<3>}	119.8970	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	120.1838	0.446	4	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	119.9513	1.077	10	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	119.3158	0.325	4	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	119.3400	0.023	2	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.4070	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	119.1590	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	120.3940	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	120.9395	0.029	2	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	120.8614	0.722	26	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	120.8628	0.453	8	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	120.5080	0.863	2	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	121.3196	0.498	7	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	121.6654	1.048	42	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	119.2660	0.633	4	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<7>,1|H<1>,1|N<3>,2|C<3>}	119.5090	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	120.1680	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<5>,1|H<1>,1|N<3>,2|C<3>}	121.0845	0.565	2	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	120.6970	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.6480	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	120.7087	0.438	20	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<15>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<15>,1|H<1>,1|N<3>,2|C<3>}	119.0610	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ta<8>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ta<8>,1|C<4>,1|H<1>,2|C<3>}	118.7347	0.514	3	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ti<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ti<7>,1|C<4>,1|H<1>,2|C<3>}	118.4840	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	120.1997	0.566	10	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	120.8055	0.148	2	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zr<10>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zr<10>,1|C<4>,1|H<1>,2|C<3>}	119.4440	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,2|H<1>,2|O<2>}	118.9750	0.000	1	120.6281	0.910	305	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,3|C<3>}	119.5445	0.323	4	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Au<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<5>,1|H<1>,3|C<3>}	122.2050	0.000	1	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,3|C<3>}	118.5480	0.055	2	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,3|C<3>}	119.6250	0.004	2	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,3|C<3>}	119.4675	0.327	2	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,3|C<3>}	119.8335	0.326	2	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	119.5394	0.475	32	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	119.9783	0.294	4	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,3|C<3>}	119.5295	0.134	2	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	119.0500	0.743	3	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	119.6270	0.495	2	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	118.9007	0.455	4	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	118.6669	0.497	7	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	118.8953	0.769	3	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	120.7357	0.911	7	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	121.2231	0.665	22	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,3|C<3>}	118.5055	1.378	2	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	119.5365	0.764	4	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	119.5135	0.535	4	119.8550	1.054	109	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	120.9565	0.528	2	120.6587	0.406	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<14>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Sm<14>,1|H<1>,1|N<3>,2|C<3>}	120.0630	0.000	1	120.6587	0.406	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.0025	0.500	2	118.9320	0.140	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<4>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<4>,1|C<3>,1|H<1>}	118.7910	0.000	1	118.9320	0.140	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.3082	0.282	6	119.1681	0.204	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.3280	0.000	1	119.1681	0.204	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.8690	0.000	1	119.8690	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<3>,1|H<1>,1|N<4>}	122.7535	1.657	2	122.7535	2.745	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Sn<5>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>}	119.8190	0.000	1	119.8190	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<3>,1|C<5>,1|H<1>}	119.9860	0.000	1	119.9137	0.295	12	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<3>,2|H<1>}	120.6310	0.000	1	119.9137	0.295	12	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<3>,1|C<4>,1|H<1>}	119.6052	0.533	5	119.9137	0.295	12	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H){1|Cl<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|Cl<2>,1|C<3>,1|H<1>}	119.6685	0.112	2	119.9137	0.295	12	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<15>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<15>,1|C<3>,1|C<5>,1|H<1>}	119.7680	0.000	1	119.9137	0.295	12	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<15>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Zr<15>,1|C<3>,1|H<1>,1|H<2>}	120.6080	0.000	2	119.9137	0.295	12	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	119.0790	0.000	1	119.0790	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Al<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Al<4>,1|C<3>,2|H<1>}	121.3070	0.976	2	119.9256	1.103	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Li<3>,1|Ni<7>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Li<3>,1|Ni<7>,1|C<3>,1|H<1>}	119.7330	0.000	1	119.9256	1.103	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ni<4>,1|Ni<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Ni<4>,1|Ni<5>,1|C<3>,1|H<1>}	119.6240	0.000	1	119.9256	1.103	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	119.1693	0.040	3	119.9256	1.103	7	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	120.6880	0.597	5	120.2148	0.867	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ga<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ga<3>,2|H<1>,3|C<3>}	118.4530	0.000	1	120.2148	0.867	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Th<12>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Th<12>,1|H<1>,1|O<2>,3|C<3>}	120.6530	0.755	2	120.2148	0.867	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|Li<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|Li<4>,1|H<1>,3|C<3>}	119.2490	0.000	1	120.2148	0.867	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	119.7000	0.000	1	120.2148	0.867	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	118.4190	0.000	1	118.4190	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.3680	0.000	1	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	119.7302	0.386	6	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.4640	0.424	2	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	119.2120	0.061	3	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.2568	0.548	8	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.1338	0.180	4	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.1347	0.261	3	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	118.6060	1.359	2	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.3643	0.280	3	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.5647	0.346	7	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.8925	0.073	2	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.8284	1.110	8	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.8199	0.396	8	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	118.9115	0.416	2	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.5145	0.859	11	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.4970	1.132	3	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	119.1250	0.000	1	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	119.6400	0.000	1	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.0280	0.000	1	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	120.4780	0.448	4	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.2154	0.694	8	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Al<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	120.0340	0.596	3	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.0345	0.214	2	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	118.7500	0.000	1	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	118.5355	0.370	2	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.0757	0.705	3	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	118.3760	0.566	2	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	118.1890	0.000	1	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.0710	0.000	1	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.2150	0.608	2	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	119.1085	0.052	2	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	117.4890	0.000	1	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.6208	0.758	11	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.6668	0.411	4	119.4455	0.612	123	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|As<2>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|As<2>,1|C<3>,1|H<1>}	119.6780	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<4>,1|C<3>,1|H<1>}	119.5700	0.641	23	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<5>,1|C<3>,1|H<1>}	119.8790	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	118.3260	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.0300	0.051	2	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.6900	0.518	17	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.3047	0.434	4	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.0955	0.364	2	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.3388	0.683	17	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	119.4760	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.4310	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.1560	0.259	4	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.4428	0.502	5	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Eu<11>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<11>,1|C<3>,1|H<1>}	119.1650	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	118.7600	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.0147	0.463	4	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.7425	0.357	4	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.4335	0.204	2	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	119.5810	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.2690	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<5>,1|C<3>,1|H<1>}	119.7750	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<5>,1|C<3>,1|H<1>}	119.4500	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.3028	1.257	5	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.4227	0.979	805	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	119.3787	0.966	50	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.2540	0.904	32	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<9>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<9>,1|C<3>,1|H<1>}	117.8390	2.434	2	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mg<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	120.2130	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.1570	0.324	5	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.3973	0.864	94	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	119.1929	0.318	7	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	119.4937	1.040	26	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Os<9>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	119.1442	0.620	4	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.9244	0.415	9	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.3575	0.875	2	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.5782	0.818	71	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|H<1>}	119.6105	0.387	6	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<7>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<7>,1|C<3>,1|H<1>}	118.6628	0.311	4	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.0020	0.457	8	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.4997	0.791	251	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	119.8452	1.189	5	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	119.1180	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	119.5628	0.469	33	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.6120	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	118.8200	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	118.7640	0.122	2	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	119.3531	0.278	8	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	118.4315	0.404	2	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	119.0896	0.605	45	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<9>,1|C<3>,1|H<1>}	118.7605	0.075	4	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.2847	0.510	24	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|H<1>}	119.3175	0.457	2	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.4915	0.492	11	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Te<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Te<5>,1|C<3>,1|H<1>}	120.8610	0.000	1	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Te<7>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Te<7>,1|C<3>,1|H<1>}	119.4255	1.119	2	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.4413	0.252	6	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	119.0150	0.150	3	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.2548	0.503	5	119.4723	0.831	1633	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.8670	0.000	1	120.2317	0.693	32	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|N<5>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	119.3240	0.000	1	120.2317	0.693	32	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.2396	0.759	5	120.2317	0.693	32	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|H<1>}	119.2235	0.111	2	120.2317	0.693	32	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Li<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	119.1190	0.000	1	120.2317	0.693	32	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.9235	0.306	4	120.2317	0.693	32	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	120.4113	0.708	16	120.2317	0.693	32	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<8>,1|C<3>,1|H<1>}	118.8790	0.000	1	120.2317	0.693	32	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	121.3040	0.000	1	120.2317	0.693	32	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.3300	0.000	1	119.8576	0.422	8	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.0640	0.222	2	119.8576	0.422	8	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	120.2435	0.463	4	119.8576	0.422	8	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.4290	0.000	1	119.8576	0.422	8	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|S<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	121.3747	0.435	3	121.1326	0.205	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|S<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	120.7695	0.009	2	121.1326	0.205	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	118.9850	0.000	1	118.6617	0.816	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	117.7265	0.776	2	118.6617	0.816	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	118.2090	0.000	1	118.6617	0.816	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	119.4000	0.000	1	118.6617	0.816	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	118.8317	1.031	7	118.6617	0.816	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	118.7330	0.000	1	118.6617	0.816	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ag<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ag<2>,1|H<1>,3|C<3>}	118.0020	0.417	2	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Al<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Al<4>,1|H<1>,3|C<3>}	119.1655	1.406	2	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,3|C<3>}	121.8499	0.927	14	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<5>,1|H<1>,3|C<3>}	121.0980	0.386	2	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	119.7747	0.649	3	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,3|C<3>}	119.3372	0.182	6	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,3|C<3>}	119.8402	0.305	5	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	117.9490	0.000	1	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	119.6920	0.000	1	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mo<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mo<5>,1|H<1>,3|C<3>}	119.0400	0.000	1	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,3|C<3>}	118.7540	0.000	1	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	120.1763	0.446	4	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	120.2003	0.944	30	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,3|C<3>}	120.3283	1.169	10	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	119.0530	0.320	2	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.9807	0.218	3	120.2696	1.442	87	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	119.7390	0.000	1	119.7390	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.6720	0.000	1	120.6720	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<6>,1|C<3>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.7532	0.270	4	120.7532	0.073	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]Ga[6]Si)(C[6]C[6]H)(H)	C[6](C[6]Ga[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ga<3>,2|Si<4>}	C[6](C[6]Ga[6]Si)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]Ga[6]Si)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	127.3920	0.000	1	127.3920	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]Ge[6]C)(C[6]C[6]H)(H)	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ge<3>,1|C<4>,1|H<1>}	C[6](C[6]Ge[6]C)(C[6]C[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	123.9930	0.000	1	123.9930	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H)	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ge<3>,2|H<1>}	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	125.4780	0.000	1	125.4780	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]In[6]Si)(C[6]C[6]H)(H)	C[6](C[6]In[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|In<3>,2|Si<4>}	C[6](C[6]In[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]In[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	129.1650	0.000	1	129.1650	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	119.4440	0.000	1	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cr<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	121.2270	0.000	2	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.3225	1.203	4	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.2707	0.430	3	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	121.0850	0.144	2	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.6790	0.107	2	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	121.4253	0.841	6	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.2330	0.000	1	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	121.4545	0.583	2	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.6553	0.911	3	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.5670	0.000	1	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	121.0960	0.000	1	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.8027	0.605	6	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	120.5787	0.171	4	120.6837	0.730	38	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	119.7710	0.000	1	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	120.4440	0.000	1	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.7480	0.000	1	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.3571	0.209	9	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.3040	0.000	1	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	121.2005	0.831	2	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.3060	0.000	1	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	120.2850	1.724	2	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	118.5590	0.000	1	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|B<3>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	120.1600	0.000	1	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.5270	0.953	2	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.5385	0.217	2	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.5360	0.000	1	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.5577	0.198	4	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Os<9>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	118.8740	0.000	1	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.8065	0.229	6	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.8977	0.565	12	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|H<1>}	119.5270	0.067	4	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	119.4405	0.777	2	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	120.0925	1.073	11	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Rh<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	119.5340	0.576	2	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	120.0877	0.289	3	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	119.4295	0.070	2	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	119.8750	0.328	2	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.5320	0.028	2	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.7546	0.546	12	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	118.8650	0.000	1	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	119.8013	0.200	3	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.4237	0.516	4	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	119.8675	1.006	4	119.7636	0.452	100	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	120.6497	0.485	7	120.7346	0.205	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<6>,1|C<3>,1|H<1>}	121.0315	0.037	2	120.7346	0.205	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|O<2>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<8>,1|C<3>,1|H<1>}	120.4893	0.170	3	120.4893	0.029	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<4>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){2|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){2|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	120.5780	0.000	1	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ba<7>,1|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ba<7>,1|H<1>,3|C<3>}	120.2370	0.000	1	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.4430	0.000	1	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ca<6>,1|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ca<6>,1|H<1>,3|C<3>}	121.1897	0.507	3	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	121.6540	0.000	1	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	121.3655	0.206	2	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	119.9585	0.507	2	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	121.6814	0.516	22	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	121.9695	0.996	2	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	120.5692	1.221	5	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|H<1>,1|V<6>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|H<1>,1|V<6>,3|C<3>}	121.8740	0.867	2	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Mg<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Mg<6>,1|C<4>,1|H<1>,2|C<3>}	121.0270	0.000	1	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	122.1155	0.213	2	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	121.9910	0.000	1	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	122.2390	0.000	2	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	121.4020	0.305	2	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	121.0919	0.426	13	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	119.6060	0.000	1	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Sr<7>,1|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Sr<7>,1|H<1>,3|C<3>}	120.4850	0.000	1	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	120.8440	0.000	1	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	121.6835	0.199	2	121.3482	0.578	68	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	120.3970	0.646	2	120.3970	0.418	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	119.4880	0.000	1	119.4880	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	118.9550	0.000	1	118.9550	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.9167	0.631	6	119.5689	0.527	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.0085	0.318	6	119.5689	0.527	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	119.4600	0.105	2	119.5689	0.527	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	121.0620	0.000	1	119.5689	0.527	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|N<3>}	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	122.0550	0.000	1	122.0550	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Al<4>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Al)(C[6]C[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	118.7603	0.190	10	118.7603	0.036	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Al<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Al)(C[6]C[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	119.1302	0.445	6	119.1302	0.198	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|As<3>,1|C<4>,1|N<3>}	C[6](C[6]N[6]As)(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	118.3590	0.274	2	118.8285	0.311	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|As<3>,1|C<4>,1|N<3>}	C[6](C[6]N[6]As)(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	118.6315	0.268	2	118.8285	0.311	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|As<4>,1|C<4>,1|N<3>}	C[6](C[6]N[6]As)(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	119.4950	0.016	2	118.8285	0.311	6	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	118.5395	0.610	2	119.2337	0.486	18	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.3560	0.000	1	119.2337	0.486	18	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.0156	0.640	8	119.2337	0.486	18	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	119.2300	0.000	1	119.2337	0.486	18	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.3840	0.000	1	119.2337	0.486	18	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.6030	0.000	1	119.2337	0.486	18	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	119.1605	0.029	2	119.2337	0.486	18	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	120.5540	0.000	2	119.2337	0.486	18	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.0020	0.000	1	120.8197	2.123	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	121.0427	1.457	11	120.8197	2.123	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Br<2>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	120.1840	0.000	1	120.8197	2.123	13	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	118.9190	0.000	1	120.5525	1.353	8	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,2|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	121.0753	0.762	6	120.5525	1.353	8	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|Br<1>,2|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.0490	0.000	1	120.5525	1.353	8	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){2|Br<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.6140	0.000	1	117.6140	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.2165	0.463	2	118.8293	3.982	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	113.7600	0.000	1	118.8293	3.982	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	119.4145	0.261	2	118.8293	3.982	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.6105	0.904	4	118.8293	3.982	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.4350	0.314	4	119.7981	0.667	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.2007	0.700	8	119.7981	0.667	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.3910	0.000	1	119.7981	0.667	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.6175	1.316	2	119.7981	0.667	15	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|N<2>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<9>,1|C<3>,1|H<1>}	118.8130	0.000	1	120.3800	4.911	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,2|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	121.9470	0.000	1	120.3800	4.911	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|N<3>,1|O<2>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	121.6180	0.000	1	121.6180	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){2|Cl<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	119.6730	0.591	2	119.8800	0.303	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){2|Cl<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	120.2940	0.000	1	119.8800	0.303	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Fe<5>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Fe)(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	120.0970	0.000	1	120.0970	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Ir<6>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.9610	0.000	1	120.9610	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<6>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.1590	0.000	1	119.3933	3.685	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<6>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.8120	0.000	1	119.3933	3.685	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<7>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	117.2090	0.000	1	119.3933	3.685	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(H){1|Ir<6>,1|N<3>,1|O<2>}	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	122.0010	0.000	1	122.0010	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<6>,1|Si<4>,1|N<3>}	C[6](C[6]N[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.5140	0.000	1	120.5140	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Mg<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Mg)(C[6]C[6]H)(H){1|Li<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<3>,1|C<3>,1|H<1>}	118.1740	0.000	1	118.1190	0.006	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Mg<5>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Mg)(C[6]C[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	118.0640	0.000	1	118.1190	0.006	2	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Os<6>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Os)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.8190	0.000	1	120.4420	0.311	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Os<7>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Os)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.3995	0.838	2	120.4420	0.311	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Os<8>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Os)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	120.1500	0.000	1	120.4420	0.311	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(H){1|Pd<4>,2|N<3>}	C[6](C[6]N[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	121.1000	0.000	1	121.1000	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Rh<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Rh)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	118.9620	0.000	1	119.0907	0.012	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Rh<6>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	119.1550	0.007	2	119.0907	0.012	3	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.6260	0.153	2	120.1792	0.284	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.8540	0.000	1	120.1792	0.284	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Ru)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.6110	0.000	1	120.1792	0.284	4	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Se<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.1550	0.000	1	119.5594	0.663	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	119.5190	0.000	1	119.5594	0.663	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	119.7255	0.019	2	119.5594	0.663	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	120.3180	0.000	1	119.5594	0.663	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	117.8880	0.000	1	119.5594	0.663	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	119.5680	0.873	3	119.5594	0.663	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	118.3560	0.141	2	118.3922	0.094	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	118.4470	0.011	2	118.3922	0.094	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	118.1040	0.060	3	118.3922	0.094	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Si<5>,1|C<4>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	118.8060	0.352	2	118.3922	0.094	9	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Si<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	118.8830	0.000	1	118.8439	0.658	28	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Si<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	118.5985	0.139	2	118.8439	0.658	28	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Si<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.6254	0.570	10	118.8439	0.658	28	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Si<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	118.3190	0.772	6	118.8439	0.658	28	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Si<5>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	118.0140	0.000	1	118.8439	0.658	28	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Si<5>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Pt<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<7>,1|C<3>,1|H<1>}	119.6710	0.699	8	118.8439	0.658	28	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){2|Si<4>,1|N<3>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.8950	0.000	1	120.8950	0.000	1	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Sn<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Sn)(C[6]C[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	118.5715	0.946	6	118.5727	0.887	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Sn<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Sn)(C[6]C[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	118.5745	1.081	4	118.5727	0.887	10	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.3343	0.288	3	118.8580	0.560	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|B<3>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.6435	0.131	2	118.8580	0.560	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]P[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|P<3>}	C[6](C[6]P[6]Cl)(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]P[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	123.5992	0.852	5	123.5992	0.726	5	119.4455	1.045	22865	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	119.7761	1.022	12	119.7597	0.960	13	119.4901	1.020	66	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|I<1>,2|C<3>}	C[6](C[6]C[6]H)2(I){1|H<1>,2|C<3>}	119.5630	0.000	1	119.7597	0.960	13	119.4901	1.020	66	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	118.8341	0.757	24	119.2117	0.718	47	119.4901	1.020	66	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,2|H<1>}	119.7996	0.577	18	119.2117	0.718	47	119.4901	1.020	66	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|Co<6>,1|C<3>,1|H<1>}	118.0430	0.000	1	119.2117	0.718	47	119.4901	1.020	66	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|Ni<6>,1|C<3>,1|H<1>}	118.3170	0.000	1	119.2117	0.718	47	119.4901	1.020	66	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|Pd<4>,1|C<3>,1|H<1>}	118.6460	0.000	1	119.2117	0.718	47	119.4901	1.020	66	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|Zn<4>,1|C<3>,1|H<1>}	119.7655	1.201	2	119.2117	0.718	47	119.4901	1.020	66	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,2|H<1>}	120.8612	0.302	5	120.8612	0.091	5	119.4901	1.020	66	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	122.2150	0.000	1	122.2150	0.000	1	119.4901	1.020	66	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(N){1|C<3>,2|H<1>}	120.6173	0.523	3	120.6173	0.273	3	120.6173	0.273	3	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5,5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	122.1195	0.473	2	122.1195	0.224	2	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	120.8720	0.069	2	120.8720	0.005	2	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	119.3450	0.000	1	119.3450	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	122.2040	0.000	1	122.2040	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.3425	0.778	4	120.8787	0.631	8	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	121.4150	0.317	4	120.8787	0.631	8	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	122.4520	0.000	1	121.8130	0.625	9	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.7331	0.806	8	121.8130	0.625	9	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.4510	0.275	6	121.4510	0.076	6	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|I<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	122.0150	0.000	2	122.0150	0.000	2	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	121.0574	0.519	5	121.0574	0.269	5	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(O){1|C<3>,2|H<1>}	122.2010	0.000	1	122.2010	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	121.2530	0.260	2	120.9405	1.824	63	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.9075	0.548	24	120.9405	1.824	63	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.9622	1.736	36	120.9405	1.824	63	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>}	120.3290	0.000	1	120.9405	1.824	63	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	122.4710	0.000	1	122.4710	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	123.1340	0.000	1	123.1340	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.2490	0.000	1	121.2490	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.4551	0.373	7	121.4551	0.139	7	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.3585	1.921	2	121.3585	3.691	2	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	121.1910	0.000	1	121.1910	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	121.7015	0.479	2	120.2595	5.649	4	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|Cl<1>,1|C<3>,1|H<1>}	118.8175	2.898	2	120.2595	5.649	4	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.7957	0.408	4	121.7957	0.166	4	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	121.7055	2.961	2	121.7055	8.765	2	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|I<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.7140	0.000	1	120.7140	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.7509	1.282	12	120.7651	1.440	14	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<2>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.8500	0.799	2	120.7651	1.440	14	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.7235	0.695	2	121.9511	0.145	31	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.8237	0.129	3	121.9511	0.145	31	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.9833	0.382	26	121.9511	0.145	31	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|H<1>,2|C<3>}	121.0805	0.522	4	122.9464	1.049	21	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	123.3855	0.431	17	122.9464	1.049	21	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	120.3850	0.000	1	120.3850	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	121.8280	0.071	2	121.4887	0.249	69	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	121.4370	0.000	1	121.4887	0.249	69	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|S<2>}	122.1160	0.000	1	121.4887	0.249	69	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	120.8480	0.000	1	121.4887	0.249	69	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	121.4791	0.502	64	121.4887	0.249	69	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	121.7280	0.000	1	121.7280	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	122.1130	0.000	1	121.5933	0.209	3	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	121.3335	0.111	2	121.5933	0.209	3	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	122.8730	0.000	1	122.8730	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	121.6425	0.391	2	121.6425	0.153	2	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	121.3760	0.000	1	121.3760	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|I<1>}	121.9440	0.000	1	121.3613	0.278	3	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	121.0700	0.215	2	121.3613	0.278	3	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,1|H<1>,1|S<3>}	122.3332	0.671	4	122.3332	0.450	4	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	120.6720	0.141	3	121.0422	0.666	128	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	121.0850	0.834	116	121.0422	0.666	128	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|I<1>}	120.9015	0.558	2	121.0422	0.666	128	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	121.3200	0.000	1	121.0422	0.666	128	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|Cl<1>,1|C<3>,1|H<1>}	119.9470	0.000	1	121.0422	0.666	128	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	120.5523	0.332	3	121.0422	0.666	128	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.3970	0.701	2	121.0422	0.666	128	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	122.1090	0.413	2	122.1090	0.171	2	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	121.5015	0.219	4	121.5293	0.113	24	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	121.5349	0.359	20	121.5293	0.113	24	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	120.7419	1.000	8	120.1597	1.263	13	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	119.2282	0.527	5	120.1597	1.263	13	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	122.0450	0.000	1	122.0450	0.000	1	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	121.2873	0.268	4	121.2873	0.072	4	121.3219	1.044	447	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	120.7630	1.111	3	120.7630	1.234	3	119.9315	1.371	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	119.5000	0.000	1	119.5000	0.000	1	119.9315	1.371	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	118.9280	0.000	1	118.9280	0.000	1	119.9315	1.371	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|I<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	118.8720	0.000	1	118.8720	0.000	1	119.9315	1.371	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]B[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]B[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.6427	0.344	3	118.6427	0.118	3	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.2215	0.432	2	119.2215	0.187	2	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.5490	0.874	2	119.1536	0.305	11	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5580	0.000	1	119.1536	0.305	11	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.2893	0.419	4	119.1536	0.305	11	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.2193	0.509	4	119.1536	0.305	11	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|W<6>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,2|H<1>}	119.8470	0.000	1	119.8470	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]N[6]C)(H){1|C<3>,1|H<1>}	118.4990	0.000	1	118.4990	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5820	0.459	4	119.3127	0.191	11	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.1240	0.000	1	119.3127	0.191	11	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.3270	0.252	3	119.3127	0.191	11	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.0023	0.516	3	119.3127	0.191	11	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.9170	0.431	2	120.9170	0.186	2	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5960	0.215	2	119.5960	0.046	2	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	118.5040	0.130	2	118.5040	0.017	2	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5874	1.019	5	119.5874	1.039	5	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.7680	0.000	1	118.7680	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|B<4>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	119.2740	0.013	2	119.2740	0.000	2	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|C<4>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.1010	0.000	1	119.1010	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.8547	0.387	13	118.8547	0.150	13	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.1151	0.546	15	120.1151	0.298	15	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5711	0.873	25	119.5711	0.762	25	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.9805	0.742	4	120.9805	0.550	4	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	120.0590	0.000	1	120.0590	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	118.7835	0.139	2	118.7835	0.019	2	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.7685	0.386	8	119.7472	1.095	74	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.3590	0.000	1	119.7472	1.095	74	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.2820	0.000	1	119.7472	1.095	74	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.9633	1.764	20	119.7472	1.095	74	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.6874	0.625	43	119.7472	1.095	74	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.6760	0.000	1	119.7472	1.095	74	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|D<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	118.8490	0.000	1	118.8490	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	118.2605	0.136	2	119.1070	1.002	181	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.5215	0.419	13	119.1070	1.002	181	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	118.5213	0.430	3	119.1070	1.002	181	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.3099	1.082	73	119.1070	1.002	181	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	117.9104	0.255	5	119.1070	1.002	181	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	118.5470	0.359	2	119.1070	1.002	181	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	117.8240	0.000	1	119.1070	1.002	181	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	118.1623	0.242	3	119.1070	1.002	181	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	118.5520	0.000	2	119.1070	1.002	181	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.2391	0.945	76	119.1070	1.002	181	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Se<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Se<1>,1|C<3>,1|H<1>}	117.6520	0.000	1	119.1070	1.002	181	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	120.1690	0.000	1	120.1690	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	119.6740	0.000	1	120.1145	0.283	17	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.3092	0.571	9	120.1145	0.283	17	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.6710	0.000	1	120.1145	0.283	17	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	119.8785	0.415	2	120.1145	0.283	17	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.0140	0.211	2	120.1145	0.283	17	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	119.5165	0.081	2	120.1145	0.283	17	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]U)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|U<16>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]U)(H){1|C<3>,2|H<1>}	114.3260	0.000	1	114.3260	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|B<3>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	120.0860	0.000	1	120.0860	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.2313	0.843	3	120.2313	0.711	3	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.8306	0.953	16	119.8306	0.908	16	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.2560	0.000	1	120.2560	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.1480	0.000	1	119.5500	0.323	2	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Fe)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.9520	0.000	1	119.5500	0.323	2	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|I<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.0982	0.628	24	120.0982	0.394	24	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.4353	0.440	18	119.4353	0.194	18	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.8337	0.529	3	120.2620	0.344	30	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.1985	0.566	27	120.2620	0.344	30	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.3725	1.402	4	120.1202	0.583	70	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.1750	0.000	1	120.1202	0.583	70	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	120.2353	0.517	4	120.1202	0.583	70	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	120.2183	0.713	57	120.1202	0.583	70	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5915	0.270	4	120.1202	0.583	70	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.7260	0.159	3	120.7984	0.029	5	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.9070	0.157	2	120.7984	0.029	5	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	120.4005	0.620	2	120.4658	0.473	19	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	120.7132	1.169	5	120.4658	0.473	19	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.3755	0.473	11	120.4658	0.473	19	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.3530	0.000	1	120.4658	0.473	19	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9147	0.630	3	119.9078	0.722	26	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.7000	0.000	1	119.9078	0.722	26	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	120.3660	0.229	2	119.9078	0.722	26	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.8714	0.938	20	119.9078	0.722	26	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	120.6860	0.000	1	120.3985	0.079	4	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.0550	0.000	1	120.3985	0.079	4	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	120.2920	0.000	1	120.3985	0.079	4	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	120.5610	0.000	1	120.3985	0.079	4	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6650	0.000	1	119.0750	0.336	2	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.4850	0.000	1	119.0750	0.336	2	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3840	0.000	1	119.5189	0.349	8	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	119.6352	0.636	6	119.5189	0.349	8	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.9560	0.000	1	119.5189	0.349	8	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]N[6]B)(H){1|B<3>,1|C<3>,1|H<1>}	119.6770	0.000	1	119.6770	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]N[6]H)(H){1|C<3>,1|H<1>}	117.1003	0.329	6	117.1003	0.108	6	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	119.1600	0.049	2	119.1600	0.002	2	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.3063	0.515	4	119.5729	0.283	8	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.8395	0.453	4	119.5729	0.283	8	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2390	0.000	1	119.2390	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	119.5011	0.274	7	119.5011	0.075	7	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.0510	0.000	1	120.0510	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Ni)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.6800	0.000	1	119.6800	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Pd)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.3120	0.000	1	120.3120	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.0565	0.310	11	120.3053	0.831	12	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	123.0430	0.000	1	120.3053	0.831	12	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.4240	0.000	1	118.4240	0.000	1	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5640	0.151	3	119.6900	0.148	10	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.7440	0.451	7	119.6900	0.148	10	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|N<3>}	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	119.6290	0.220	12	119.6290	0.048	12	119.6134	0.970	671	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]N[6]I)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(I)	C[6](C[6]C[6]H)(C[6]N[6]I)(H){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,1|I<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(I){1|C<3>,2|H<1>}	120.4850	0.000	1	120.4850	0.000	1	120.4850	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(N)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(N){1|C<3>,2|H<1>}	121.8700	0.000	2	121.8700	0.000	2	121.8700	0.000	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	Ge[6]-3:C[6]-3:H-1:	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H)	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H)	C[6](Ge[6]C[6a]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](Ge[6]C[6a]Ge[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	128.0760	0.000	1	128.0760	0.000	1	128.0760	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]B[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5,6]B[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,5|C<3>}	118.5530	0.000	1	118.5530	0.000	1	119.6660	0.401	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.1390	0.000	1	119.4469	0.226	9	119.6660	0.401	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(H){1|H<1>,5|C<3>}	119.3604	0.426	8	119.4469	0.226	9	119.6660	0.401	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,5|C<3>}	119.5490	0.000	1	120.1802	0.191	6	119.6660	0.401	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.0720	0.180	3	120.1802	0.191	6	119.6660	0.401	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.6580	0.034	2	120.1802	0.191	6	119.6660	0.401	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.5210	0.000	1	120.5210	0.000	1	120.5055	0.000	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	120.4900	0.000	1	120.4900	0.000	1	120.5055	0.000	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H){1|H<1>,5|C<3>}	118.9920	0.000	1	118.9920	0.000	1	119.3635	0.276	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.7350	0.000	1	119.7350	0.000	1	119.3635	0.276	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.2010	0.180	2	119.2010	0.032	2	120.0586	0.365	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.5897	0.298	3	120.3445	0.112	6	120.0586	0.365	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	120.0993	0.098	3	120.3445	0.112	6	120.0586	0.365	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.6685	0.186	2	119.6685	0.035	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.8285	0.039	2	118.8285	0.002	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.6210	0.000	1	119.1133	0.651	3	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.8595	0.957	2	119.1133	0.651	3	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.0880	0.000	1	119.0880	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.3810	0.068	2	119.3810	0.005	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.2640	0.057	2	119.3773	0.019	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.4905	0.057	2	119.3773	0.019	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.4420	0.000	1	119.4420	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.0270	0.000	1	119.0270	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.1990	0.000	1	119.1990	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.2320	0.000	1	119.6880	0.416	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.1440	0.000	1	119.6880	0.416	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1210	0.000	1	119.1210	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.3240	0.000	1	119.3240	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.4080	0.000	1	119.4080	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.5280	0.000	1	118.5280	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.1850	0.000	1	119.1850	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|Cu<4>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5180	0.000	1	119.8645	0.240	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|Cu<5>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.2110	0.000	1	119.8645	0.240	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|Ni<6>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5570	0.294	2	119.5570	0.087	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|Pd<4>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.8670	0.806	3	119.8670	0.650	3	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|Pt<6>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.3080	0.000	1	119.3080	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Au)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Au)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	117.9535	0.032	2	117.9535	0.001	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9800	0.000	1	118.9800	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6010	0.444	5	118.6010	0.197	5	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.5640	0.000	1	118.9400	0.343	8	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1167	0.574	4	118.9400	0.343	8	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2570	0.099	2	118.9400	0.343	8	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	117.9750	0.000	1	118.9400	0.343	8	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.5102	0.761	8	118.5102	0.578	8	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6085	0.060	2	118.6085	0.004	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.1215	0.110	2	118.1215	0.012	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.5383	0.098	4	118.5383	0.010	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9518	0.457	4	118.9518	0.209	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.4090	2.167	3	120.4090	4.695	3	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	117.7940	0.000	1	117.7940	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.1960	0.000	1	118.1960	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<10>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ru<10>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.2520	0.098	2	118.6778	0.443	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.1035	0.021	2	118.6778	0.443	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1895	0.359	2	118.8677	0.375	3	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.2240	0.000	1	118.8677	0.375	3	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Co<6>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.4880	0.167	2	119.4880	0.028	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Cu<4>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.7705	0.457	2	119.1955	0.163	6	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Cu<5>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.4080	0.145	4	119.1955	0.163	6	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Ni<6>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5529	0.179	7	119.5529	0.032	7	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Pd<4>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.6907	1.008	28	119.6907	1.015	28	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Ru<6>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5190	0.000	1	119.5190	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cl<1>,1|Zn<4>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.1782	0.501	6	119.1782	0.251	6	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.4070	0.918	2	118.4070	0.842	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.4657	0.553	6	118.4657	0.306	6	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8550	0.000	1	119.8550	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8950	0.000	1	118.8950	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1890	0.000	1	119.1890	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6190	0.898	2	118.6190	0.806	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.4340	0.357	4	118.4340	0.127	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.2877	0.241	6	118.2877	0.058	6	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3740	0.000	1	119.2392	0.053	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9180	0.000	1	119.2392	0.053	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3325	0.144	2	119.2392	0.053	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9250	0.124	2	118.9250	0.015	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.1070	0.000	1	118.1070	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.4755	1.608	6	120.4755	2.585	6	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7157	0.934	3	119.2503	2.204	7	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.1513	0.262	4	119.2503	2.204	7	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4520	0.000	1	119.4520	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.3630	0.771	4	118.3630	0.595	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6755	0.984	11	119.6755	0.969	11	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3850	0.000	1	119.3850	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2087	1.479	3	120.2087	2.188	3	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0720	0.000	1	118.9807	0.190	6	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ru<7>,1|H<1>,1|N<3>,1|O<2>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.8970	0.406	2	118.9807	0.190	6	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0060	0.618	3	118.9807	0.190	6	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5850	0.000	1	119.5850	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.0740	0.000	1	119.1453	0.996	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5023	0.854	3	119.1453	0.996	4	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]N[6]Ce)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ce<17>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ce<17>,1|H<1>,1|N<3>}	C[6](N[6]N[6]Ce)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	117.7755	0.699	2	117.7755	0.489	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<14>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6773	0.325	3	118.6773	0.106	3	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.0533	0.702	3	120.0533	0.493	3	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5910	0.000	1	119.5910	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){2|Pt<4>,1|C<3>}	C[6](C[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5310	0.068	2	120.5310	0.005	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|Si<4>,1|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.1934	0.481	16	119.1934	0.231	16	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.3310	0.000	1	119.3310	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.3380	0.000	1	119.3380	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.4685	0.141	2	119.4685	0.020	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.3890	0.000	1	119.3890	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.0207	1.987	3	119.5301	5.281	9	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.2848	2.580	6	119.5301	5.281	9	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.2789	0.754	7	119.4821	0.591	9	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.1935	0.138	2	119.4821	0.591	9	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	118.9320	1.221	6	118.9320	1.490	6	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.4522	0.826	6	119.4522	0.683	6	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ta<13>,1|C<3>,1|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ta<13>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6]Ta)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	119.0025	0.511	2	119.0025	0.261	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<9>,1|C<3>,1|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ti<9>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	118.4875	0.257	2	118.4875	0.066	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.1830	0.000	1	119.1830	0.000	1	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|N<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	119.5010	0.530	2	119.5010	0.281	2	119.2076	0.917	273	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|I<1>}	120.5310	0.000	1	120.5310	0.000	1	120.5310	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]I)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|C<3>,2|I<1>}	C[6](C[6]C[6]H)2(I){1|C<3>,2|I<1>}	118.3255	0.104	2	118.3255	0.011	2	118.5125	0.466	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]I)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|I<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|I<1>}	118.5593	0.765	8	118.5593	0.585	8	118.5125	0.466	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]I)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]I)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|I<1>}	120.9360	0.470	2	120.9360	0.220	2	120.9360	0.220	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<3>,1|H<1>,1|O<1>}	121.1680	0.000	1	121.1680	0.000	1	121.1680	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|O<1>}	120.1920	0.000	1	120.1920	0.000	1	120.1920	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[4]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	120.1180	0.416	2	120.1180	0.173	2	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	119.9220	0.000	1	120.7570	1.394	2	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	121.5920	0.000	1	120.7570	1.394	2	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	122.0790	0.197	3	122.0790	0.039	3	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<1>}	118.5500	0.000	1	118.5500	0.000	1	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	122.1710	0.000	1	122.1710	0.000	1	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	121.2190	0.178	2	121.2190	0.032	2	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	122.4240	0.000	1	120.7430	2.123	3	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|O<1>,2|C<3>}	119.9025	0.087	2	120.7430	2.123	3	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	121.5660	0.000	1	121.5660	0.000	1	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	119.9730	0.000	1	119.9730	0.000	1	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|F<1>,1|O<1>}	119.2910	0.000	1	121.4058	1.156	29	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<1>,1|O<2>}	125.5470	0.000	1	121.4058	1.156	29	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	121.3307	0.639	27	121.4058	1.156	29	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|O<1>}	121.7265	0.445	2	121.7265	0.198	2	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	121.4840	0.000	1	121.4840	0.000	1	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<1>,1|O<2>}	121.2440	0.940	2	117.9818	28.502	5	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	115.8070	6.231	3	117.9818	28.502	5	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	117.7405	1.866	2	118.4710	3.342	3	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|O<1>,2|C<3>}	119.9320	0.000	1	118.4710	3.342	3	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	119.6130	0.000	1	119.6130	0.000	1	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<1>,1|P<4>}	122.0560	0.000	1	122.0560	0.000	1	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	121.7610	0.404	3	121.7610	0.163	3	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<1>}	122.5530	0.000	1	122.5530	0.000	1	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|H<1>,1|N<2>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(O){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|O<1>}	120.4840	0.000	1	120.4840	0.000	1	120.8878	4.051	63	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>}	120.1380	0.000	1	120.1380	0.000	1	122.6986	0.558	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	122.7690	0.209	2	122.8693	0.099	15	122.6986	0.558	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	122.8848	0.331	13	122.8693	0.099	15	122.6986	0.558	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|S<2>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|O<1>,3|C<3>}	121.4890	0.000	1	121.4890	0.000	1	121.4890	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|H<1>,1|N<3>}	119.1810	0.000	1	119.1810	0.000	1	117.9303	1.541	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Br<1>,1|N<3>}	119.6475	1.395	2	117.8678	1.536	20	117.9303	1.541	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Br<1>,2|N<3>}	117.7333	1.186	6	117.8678	1.536	20	117.9303	1.541	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|H<1>,1|N<3>}	117.5701	1.119	11	117.8678	1.536	20	117.9303	1.541	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	118.3900	0.000	1	117.8678	1.536	20	117.9303	1.541	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Cl<1>,1|N<3>}	118.8875	0.292	2	118.8875	0.085	2	118.5411	0.415	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|N<3>}	118.8465	0.258	4	118.8465	0.067	4	118.5411	0.415	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,2|N<3>}	116.6420	0.000	1	118.3496	0.550	10	118.5411	0.415	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|N<3>,1|O<2>}	117.5560	0.000	1	118.3496	0.550	10	118.5411	0.415	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|N<3>}	118.6623	0.299	8	118.3496	0.550	10	118.5411	0.415	16	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|F<1>,1|H<1>,1|N<3>}	117.0290	0.274	2	117.0290	0.075	2	117.0290	0.075	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Br){1|N<3>,2|H<1>}	118.5717	0.854	46	118.5717	0.730	46	118.5378	0.726	48	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]U)(H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|U<9>}	C[6](C[6]C[6]H)(N[6]C[6]U)(H){1|Br<1>,2|C<3>}	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	117.7590	0.042	2	117.7590	0.002	2	118.5378	0.726	48	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(Cl){1|N<3>,2|H<1>}	118.5500	0.000	1	118.5500	0.000	1	118.1463	0.319	131	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	118.1432	0.566	130	118.1432	0.321	130	118.1463	0.319	131	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|B<6>,1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2135	0.753	2	119.6571	0.448	9	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	120.3745	0.944	2	119.6571	0.448	9	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	119.4297	0.461	3	119.6571	0.448	9	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.7245	0.337	2	119.6571	0.448	9	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.6525	0.070	2	119.1718	0.397	144	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3093	1.278	12	119.1718	0.397	144	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7860	0.000	1	119.1718	0.397	144	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	119.9760	0.000	1	119.1718	0.397	144	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6680	0.130	6	119.1718	0.397	144	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4590	0.320	2	119.1718	0.397	144	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.8870	0.361	9	119.1718	0.397	144	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3169	0.472	97	119.1718	0.397	144	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6952	0.456	6	119.1718	0.397	144	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|H<1>,1|N<3>}	118.6140	0.000	1	119.1718	0.397	144	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6187	0.480	3	119.1718	0.397	144	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1675	0.566	4	119.1718	0.397	144	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>}	119.7530	0.000	1	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|H<1>,1|N<3>}	119.5250	0.000	1	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	119.6584	0.395	8	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8943	0.658	29	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,2|H<1>}	119.9500	0.000	1	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|F<1>,1|H<1>,1|N<3>}	119.5175	0.028	2	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.6699	0.331	12	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9913	1.187	25	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.8427	0.272	4	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.2935	0.224	2	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<5>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<5>}	119.0370	0.000	1	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.9090	0.316	4	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.5604	1.018	637	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|N<3>}	119.6937	0.577	4	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6639	2.487	46	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ir<6>,1|H<1>,1|N<3>}	118.1440	0.000	1	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|H<1>,1|N<3>}	117.9875	0.134	2	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	119.9610	0.000	1	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9333	1.429	4	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.2785	1.381	2	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<1>}	118.5870	0.000	1	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.9020	0.000	1	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.9148	0.547	10	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7140	0.000	1	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|H<1>,1|N<3>}	118.8790	0.000	1	119.4954	1.306	801	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5260	0.000	1	119.1423	0.767	3	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4505	0.982	2	119.1423	0.767	3	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]F)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]F)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	120.1840	1.877	2	120.1840	3.522	2	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.6440	0.000	1	118.6440	0.000	1	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.2908	0.402	23	118.1368	0.205	40	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.9285	0.445	17	118.1368	0.205	40	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	118.5871	0.855	35	118.6063	0.674	39	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	118.7750	0.454	4	118.6063	0.674	39	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|N<3>}	119.7842	0.914	5	119.7842	0.835	5	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	118.5608	0.357	5	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|H<1>,1|N<3>}	118.6745	0.904	11	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	118.9575	0.221	2	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7022	0.638	148	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	118.8460	0.000	1	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|I<1>,1|N<3>}	118.4979	0.546	7	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.1573	0.489	21	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4522	0.595	208	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.5712	0.298	18	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.6907	0.444	7	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<1>}	116.5830	0.000	1	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.4740	1.012	26	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	119.2255	0.857	4	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2281	0.988	484	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|N<3>}	119.2545	0.794	8	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8043	0.752	254	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ir<6>,1|H<1>,1|N<3>}	117.6430	0.000	1	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Se<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<1>,1|H<1>,1|N<3>}	118.5650	0.000	1	118.8762	0.770	1207	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4520	0.566	2	119.2121	0.240	44	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<2>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2039	0.472	38	119.2121	0.240	44	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<3>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.5555	0.332	2	119.2121	0.240	44	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<3>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.7835	0.011	2	119.2121	0.240	44	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.7820	0.000	1	119.9306	1.485	53	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.9535	1.232	50	119.9306	1.485	53	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.3620	0.000	1	119.9306	1.485	53	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.5030	0.000	1	119.9306	1.485	53	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6194	0.934	38	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|I<1>,1|N<3>}	120.0087	1.120	3	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.5930	0.000	1	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.5624	0.641	16	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.5195	0.530	21	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	120.1584	0.739	39	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0870	0.758	23	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Se<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	120.8980	0.000	1	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.8796	0.449	8	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.4910	0.000	1	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<1>}	118.9540	0.000	1	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.3645	0.490	15	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	120.0191	0.464	46	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9006	0.672	26	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Rh<6>,1|H<1>,1|N<3>}	118.9125	0.276	2	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0380	0.000	1	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3450	0.774	2	119.7989	0.551	244	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1489	0.726	18	119.1489	0.527	18	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]U)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|U<8>}	C[6](C[6]C[6]H)(N[6]C[6]U)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2698	0.602	8	118.9925	0.445	13	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]U)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|U<11>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]U)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|U<11>,1|H<1>,1|N<3>}	118.4840	0.000	1	118.9925	0.445	13	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]U)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|U<13>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]U)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|U<13>,1|H<1>,1|N<3>,1|S<2>}	118.5650	0.633	4	118.9925	0.445	13	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<5>}	C[6](C[6]C[6]H)(N[6]C[6]V)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5335	0.366	2	118.8974	0.163	87	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<5>}	C[6](C[6]C[6]H)(N[6]C[6]V)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0044	0.319	10	118.8974	0.163	87	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<5>}	C[6](C[6]C[6]H)(N[6]C[6]V)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9077	0.548	4	118.8974	0.163	87	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(N[6]C[6]V)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9689	0.337	14	118.8974	0.163	87	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(N[6]C[6]V)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9914	0.374	15	118.8974	0.163	87	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(N[6]C[6]V)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8400	0.365	24	118.8974	0.163	87	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<7>}	C[6](C[6]C[6]H)(N[6]C[6]V)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8057	0.302	6	118.8974	0.163	87	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<7>}	C[6](C[6]C[6]H)(N[6]C[6]V)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7283	0.566	4	118.8974	0.163	87	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|V<8>}	C[6](C[6]C[6]H)(N[6]C[6]V)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6055	0.698	4	118.8974	0.163	87	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|V<11>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]V)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1412	0.648	4	118.8974	0.163	87	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.3400	0.000	1	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	118.4555	0.023	2	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7942	1.148	20	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9506	0.469	11	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<7>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9845	0.499	6	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<8>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2230	0.250	6	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<8>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9270	0.465	2	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<9>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	119.1430	0.000	1	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<9>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	116.8280	0.215	2	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|W<7>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|W<7>,2|N<3>}	118.4320	1.355	3	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|W<8>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>,1|W<8>}	119.0060	0.583	4	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|W<9>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>,1|W<9>}	118.6445	0.301	2	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|W<9>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|Se<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>,1|W<9>}	120.4435	0.814	2	118.8546	0.824	62	119.1706	0.998	2772	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]I)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)2(I){1|N<3>,2|H<1>}	118.7587	0.746	30	118.7587	0.556	30	118.7587	0.556	30	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	C[6](C[6]C[6]H)2(N){1|N<3>,2|H<1>}	119.9160	0.000	1	119.9160	0.000	1	119.9160	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)2(S){1|N<3>,2|H<1>}	121.9185	0.338	4	121.9185	0.114	4	121.3215	0.234	13	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)2(S){1|N<3>,2|H<1>}	121.0534	0.241	8	121.0561	0.051	9	121.3215	0.234	13	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|S<1>,2|C<3>}	C[6](C[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<3>}	121.0780	0.000	1	121.0561	0.051	9	121.3215	0.234	13	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	117.1401	0.403	7	116.9286	0.193	12	116.9286	0.193	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>}	116.6324	0.315	5	116.9286	0.193	12	116.9286	0.193	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>}	120.7975	0.036	2	120.7975	0.001	2	119.6619	0.993	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	118.7248	0.152	4	119.3374	0.772	7	119.6619	0.993	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<2>}	120.1543	0.727	3	119.3374	0.772	7	119.6619	0.993	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	C[6](C[6]N[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]N[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|O<1>}	118.7510	0.000	1	118.7510	0.000	1	118.7510	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(I)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|I<1>,1|N<3>}	118.8077	1.116	7	118.8077	1.246	7	119.2005	1.368	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(I)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|I<1>,1|N<3>}	120.1170	0.786	3	120.1170	0.617	3	119.2005	1.368	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|O<1>}	122.3980	0.000	1	122.3980	0.000	1	122.3980	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	123.0810	0.000	1	123.0810	0.000	1	121.5132	0.783	19	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	121.4261	0.822	18	121.4261	0.676	18	121.5132	0.783	19	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(S)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<1>}	122.3340	0.000	1	122.3340	0.000	1	121.1294	0.371	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|S<1>}	120.7350	0.119	2	120.8210	0.032	6	121.1294	0.371	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<1>}	120.7640	0.000	1	120.8210	0.032	6	121.1294	0.371	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|S<1>}	120.8973	0.234	3	120.8210	0.032	6	121.1294	0.371	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(S)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<1>}	121.7750	0.000	1	121.7750	0.000	1	121.1294	0.371	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(S){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,2|S<1>}	119.9930	0.986	4	119.9930	0.973	4	119.9930	0.973	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Se-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Se)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<1>,1|H<1>,1|N<3>}	119.6170	0.000	1	119.6170	0.000	1	119.6170	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]O[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(O[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|O<3>,2|H<1>}	121.3510	0.823	2	121.3510	0.677	2	121.3510	0.677	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	Ge[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H)	C[6](Ge[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](Ge[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ge<3>,1|C<4>,1|H<1>}	124.1220	0.000	1	124.1220	0.000	1	125.7417	1.968	3	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	Ge[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H)	C[6](Ge[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]Ge[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](Ge[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Ge<3>,2|H<1>}	126.5515	0.012	2	126.5515	0.000	2	125.7417	1.968	3	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H)	C[6](N[3x6]As[3x6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H){1|As<3>,1|C<3>,1|H<1>}	C[6](N[3x6]As[3x6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,2|N<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<3>}	119.4197	0.429	3	119.4197	0.184	3	118.6809	0.422	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H)	C[6](N[3x6]Nb[3,3,3x6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	C[6](N[3x6]Nb[3,3,3x6]C[3x6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,2|C<4>,3|N<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.1425	0.252	4	118.1425	0.063	4	118.6809	0.422	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H)	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|N<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.5510	0.000	1	118.6495	0.019	2	118.6809	0.422	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H)	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[6]N[3x6]H)(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	C[6](N[3x6]Nb[3x6]C[3x6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<2>,3|N<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.7480	0.000	1	118.6495	0.019	2	118.6809	0.422	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	119.4477	0.402	3	119.4477	0.161	3	119.3523	0.105	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H)	C[6](N[4,6]Si[4,4]C[4,6])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[4,6]Si[4,4]C[4,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	119.4300	0.000	1	119.2570	0.074	3	119.3523	0.105	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H)	C[6](N[4,6]Si[4,4]C[4,6])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[4,6]H)(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](N[4,6]Si[4,4]C[4,6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|H<1>,1|N<3>,2|S<2>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	119.1705	0.320	2	119.2570	0.074	3	119.3523	0.105	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]Cl)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(Cl){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cl<1>,1|N<3>,1|O<2>}	118.1562	0.258	6	118.1562	0.066	6	118.1562	0.066	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Ga[3x5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Ga<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[3x5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>,3|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.5840	0.213	3	119.5840	0.045	3	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Ga<5>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.5800	0.191	2	119.5570	0.022	5	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Ga<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,2|C<3>,3|N<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.5417	0.157	3	119.5570	0.022	5	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Ga[5,6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Ga<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>,3|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.7498	1.527	4	118.7498	2.332	4	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Ga[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Ga<4>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.1660	0.000	1	120.1440	0.001	2	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Ga[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Ga<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>,3|F<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.1220	0.000	1	120.1440	0.001	2	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Ge[3x5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Ge<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Ge[3x5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>,3|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.7530	0.000	1	119.7530	0.000	1	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]In[3x5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|In<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]In[3x5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>,3|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.2237	0.684	6	119.2237	0.468	6	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]In[4,5,6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|In<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]In[4,5,6])(C[6]C[6]H)(H){1|Cl<1>,1|Se<3>,2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.9360	0.000	1	117.9360	0.000	1	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]In[5,5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|In<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]In[5,5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|I<1>,3|N<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.1600	0.481	3	119.1600	0.232	3	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]In[5,6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|In<5>,2|C<3>}	C[6](N[5,6]C[5,6,6a]In[5,6])(C[6]C[6]H)(H){1|Cl<1>,2|Se<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.4550	0.000	1	119.4550	0.000	1	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]In[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|In<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]In[5])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.0070	0.000	1	118.5714	3.014	5	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]In[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|In<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]In[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>,3|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4625	1.985	4	118.5714	3.014	5	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Nb[3x5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Nb<7>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Nb[3x5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|N<3>,3|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.3570	1.106	2	119.3570	1.223	2	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Si[3x5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Si<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Si[3x5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|O<2>,3|N<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.3290	0.307	2	120.3290	0.094	2	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Si[4,5,5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Si<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Si[4,5,5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>,3|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.3190	0.000	1	120.3190	0.000	1	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Si[4,5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Si<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Si[4,5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<2>,2|N<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.0317	0.170	3	120.0236	0.021	5	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Si[4,5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Si<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Si[4,5])(C[6]C[6]H)(H){2|Br<1>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.8990	0.000	1	120.0236	0.021	5	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Si[4,5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Si<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Si[4,5])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.1240	0.000	1	120.0236	0.021	5	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Si<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>,3|F<1>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.0155	0.202	2	120.5231	0.213	10	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Si<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|N<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.5475	0.275	2	120.5231	0.213	10	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Si<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>,3|N<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.5903	0.690	3	120.5231	0.213	10	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|Si<6>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Si[5])(C[6]C[6]H)(H){4|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.7780	0.245	3	120.5231	0.213	10	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H)	C[6](N[5,6]In[3x4,5,3x6]C[5,6,6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]H)(H){1|In<6>,2|C<3>}	C[6](N[5,6]In[3x4,5,3x6]C[5,6,6a])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,3|S<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.7232	1.123	14	118.7232	1.261	14	119.4125	1.162	65	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]B[4,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]B[4,5]C[5,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.8990	0.000	1	117.8990	0.000	1	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]B[4x3,4x5,12x6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	C[6](N[5,6]B[4x3,4x5,12x6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|H<2>,3|B<6>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.6910	0.000	1	118.6910	0.000	1	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]B[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]B[5,5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.6898	0.243	4	118.7218	0.050	5	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]B[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]B[5,5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.8500	0.000	1	118.7218	0.050	5	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]B[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]B[5,6,6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2352	0.231	5	119.2352	0.054	5	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]B[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]B[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.4550	0.000	1	119.3397	0.045	3	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]B[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]B[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2820	0.264	2	119.3397	0.045	3	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]B[5x3,6x5,20x6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	C[6](N[5,6]B[5x3,6x5,20x6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.0370	0.000	1	119.0370	0.000	1	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|Se<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Se<2>,1|H<1>,1|N<3>}	118.6430	0.000	1	118.6430	0.000	1	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	119.1540	0.000	1	119.7580	0.277	5	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.7450	0.000	1	119.7580	0.277	5	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<2>}	120.2840	0.000	2	119.7580	0.277	5	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<6>}	119.3230	0.000	1	119.7580	0.277	5	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.7440	0.000	1	118.7410	0.000	2	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.7380	0.000	1	118.7410	0.000	2	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Br<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	119.0255	0.209	2	119.0255	0.044	2	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	119.5980	0.000	1	119.5980	0.000	1	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.2520	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	119.3720	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.7360	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.8100	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.4170	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.6880	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.1440	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.4240	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.0000	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	118.6840	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	119.1220	0.161	3	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|P<2>,1|P<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<2>}	120.0793	0.733	3	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|P<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<2>}	120.2940	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.8180	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.5770	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.0810	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.2970	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	117.9510	0.000	1	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.5705	0.904	26	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.5524	0.716	5	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Os<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.9975	0.097	2	120.6861	1.466	55	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|I<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.7115	1.090	2	118.5990	0.834	11	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	118.9860	0.000	1	118.5990	0.834	11	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(H){1|Si<4>,2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	118.5580	0.778	2	118.5990	0.834	11	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(H){2|Fe<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.7480	1.974	2	118.5990	0.834	11	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(H){1|Fe<11>,1|Si<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	119.0345	0.503	2	118.5990	0.834	11	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>,3|F<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.7495	0.586	2	118.5990	0.834	11	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ge[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ge<2>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Ge[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.0585	0.111	2	119.0733	0.007	3	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ge[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ge<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Ge[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.1030	0.000	1	119.0733	0.007	3	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>,2|I<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	119.0650	0.000	1	119.2177	0.130	3	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H){1|Si<4>,2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|N<3>}	118.9580	0.000	1	119.2177	0.130	3	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H){3|Cl<1>,1|H<1>,1|N<3>,1|O<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.6300	0.000	1	119.2177	0.130	3	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.0625	0.713	2	120.0625	0.509	2	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.9723	0.360	4	120.9723	0.130	4	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Nb[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Nb[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>,3|N<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.9235	0.368	2	118.9235	0.136	2	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|Ge<2>,1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	118.7220	0.000	1	119.2348	0.117	4	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	119.3750	0.000	1	119.2348	0.117	4	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](N[5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	119.4210	0.017	2	119.2348	0.117	4	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]P[3x5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<6>}	C[6](N[5,6]C[5,6]P[3x5])(C[6]C[6]H)(H){1|H<1>,2|N<3>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.7885	0.194	2	119.7885	0.038	2	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<2>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.2580	0.000	1	120.1834	0.374	7	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<2>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.1200	0.000	2	120.1834	0.374	7	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.8710	0.000	1	120.1834	0.374	7	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,1|W<6>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.2735	0.549	2	120.1834	0.374	7	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<6>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|F<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.3680	0.000	1	120.1834	0.374	7	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Se[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Se<2>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Se[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2570	0.000	1	119.2570	0.000	1	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.1317	0.198	3	119.2667	0.115	19	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.1855	0.118	2	119.2667	0.115	19	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.8690	0.355	3	119.2667	0.115	19	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H){3|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2725	0.196	2	119.2667	0.115	19	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>,3|F<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.1530	0.058	2	119.2667	0.115	19	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.6744	0.219	5	119.2667	0.115	19	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Si[5])(C[6]C[6]H)(H){2|Cl<1>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2355	0.288	2	119.2667	0.115	19	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	121.2090	0.000	1	120.6460	0.397	3	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.3645	0.564	2	120.6460	0.397	3	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[3x5,6,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[3x5,6,6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>,3|N<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.7450	0.028	2	118.7450	0.001	2	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[3x5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[3x5]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,5|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.1435	0.695	6	119.1139	0.348	8	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[3x5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[3x5]C[5,6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.0250	0.061	2	119.1139	0.348	8	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[4,5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[4,5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|O<2>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.9702	0.926	16	118.9702	0.858	16	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[4x5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[4x5]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|S<2>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.0897	0.563	4	119.0897	0.317	4	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5,6,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5,6,6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.4160	0.164	2	119.4160	0.027	2	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5,6]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|O<2>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.0230	0.457	4	118.0230	0.208	4	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3850	0.000	1	119.0354	0.139	17	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,2|C<3>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2710	0.000	1	119.0354	0.139	17	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|O<3>,2|C<3>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.0030	0.000	1	119.0354	0.139	17	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|S<2>,2|C<3>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.8205	0.045	2	119.0354	0.139	17	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|F<1>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.0200	0.427	2	119.0354	0.139	17	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|I<1>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.7510	0.013	2	119.0354	0.139	17	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.0200	0.247	2	119.0354	0.139	17	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>,3|F<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.6700	0.419	2	119.0354	0.139	17	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){3|Br<1>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.9700	0.194	2	119.0354	0.139	17	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){3|Cl<1>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.7200	0.047	2	119.0354	0.139	17	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5x5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ga<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5x5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|N<4>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.1690	0.000	1	119.1690	0.000	1	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ge[5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](N[5,6]Ge[5,6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.3480	0.000	1	119.2035	0.042	2	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Ge[5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](N[5,6]Ge[5,6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.0590	0.000	1	119.2035	0.042	2	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[3x5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[3x5]C[5,6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<4>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.8730	0.000	1	118.5280	0.118	4	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[3x5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[3x5]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,4|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.2655	0.252	2	118.5280	0.118	4	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[3x5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<7>,1|C<3>,1|H<1>}	C[6](N[5,6]In[3x5]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<3>,3|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.7080	0.000	1	118.5280	0.118	4	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[4x5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[4x5]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|S<2>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.4900	0.355	4	118.4900	0.126	4	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5,6,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5,6,6]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>,3|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.5290	0.157	2	118.5290	0.025	2	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,2|C<3>}	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<3>,2|C<3>,3|O<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.8435	0.336	2	118.8435	0.113	2	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<5>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H){1|Se<2>,2|Br<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.6510	0.000	1	118.5582	0.282	9	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H){2|Br<1>,1|H<1>,1|N<3>,1|O<3>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3750	0.000	1	118.5582	0.282	9	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.2540	0.000	1	118.5582	0.282	9	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,1|N<3>,1|O<3>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.1300	0.000	1	118.5582	0.282	9	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H){3|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	117.9820	0.000	1	118.5582	0.282	9	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H){3|Cl<1>,1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	118.4540	0.000	1	118.5582	0.282	9	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H){3|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.4900	0.000	1	118.5582	0.282	9	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(H){3|Cl<1>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.3440	0.074	2	118.5582	0.282	9	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,6]C[5,6])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.7920	0.000	1	118.7920	0.000	1	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3430	0.168	2	119.3674	0.174	13	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H){1|Br<1>,1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.9520	0.000	1	119.3674	0.174	13	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.2120	0.000	1	119.3674	0.174	13	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.4010	0.766	3	119.3674	0.174	13	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.0020	0.074	2	119.3674	0.174	13	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.6420	0.000	1	119.3674	0.174	13	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](N[5,6]Si[5,5]C[5,6])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,2|C<3>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.6923	0.098	3	119.3674	0.174	13	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]Si[5,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[5,6]Si[5,6]C[5,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.5090	0.000	1	118.5090	0.000	1	119.4954	1.180	235	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]N[6]H)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Ag)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]N[6]H)(H){1|Ag<5>,1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[5,6]Ag)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.3015	0.248	2	119.3015	0.062	2	119.3015	0.062	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.8990	0.291	3	120.9100	0.057	4	120.9779	0.031	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5,5a])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	120.9430	0.000	1	120.9100	0.057	4	120.9779	0.031	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H)	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5a,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	121.0167	0.133	7	121.0167	0.018	7	120.9779	0.031	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]B[5,5a]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5a,6]B[5,5a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.1120	0.594	2	118.1120	0.353	2	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,5a]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,5a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.1750	0.000	1	121.1750	0.000	1	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.0930	0.000	1	119.1749	0.073	13	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3660	0.000	1	119.1749	0.073	13	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.0860	0.000	1	119.1749	0.073	13	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.8480	0.420	2	119.1749	0.073	13	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3151	0.173	7	119.1749	0.073	13	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5a,6]C[5a,6]B[5a])(C[6]C[6]H)(H){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.8270	0.000	1	119.1749	0.073	13	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.2900	0.000	1	120.2900	0.000	1	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>,2|N<2>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.3040	0.000	1	120.6133	0.641	20	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.6530	0.000	1	120.6133	0.641	20	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.0435	1.319	2	120.6133	0.641	20	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	121.0250	0.000	1	120.6133	0.641	20	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.7120	0.000	1	120.6133	0.641	20	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.4763	1.150	6	120.6133	0.641	20	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.4210	0.000	1	120.6133	0.641	20	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.5033	0.630	3	120.6133	0.641	20	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.5865	0.063	2	120.6133	0.641	20	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.2615	0.067	2	120.6133	0.641	20	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](N[5a,6]C[5a,6]S[5a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.6980	0.000	1	120.6980	0.000	1	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.0520	0.000	1	121.0520	0.000	1	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.6850	0.000	1	120.6850	0.000	1	120.0416	1.035	40	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]Cl)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]Cl)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Cl<1>,1|N<2>,1|N<3>}	118.4590	0.000	1	118.4590	0.000	1	118.4590	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|B<4>,2|C<3>}	C[6](N[6,6]C[6,6,6a]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.1820	0.000	1	119.1820	0.000	1	118.4243	0.491	3	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H)	C[6](N[6,6]C[6,6,6a]Ga[6,6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]H)(H){1|Ga<4>,2|C<3>}	C[6](N[6,6]C[6,6,6a]Ga[6,6])(C[6]C[6]H)(H){1|Cl<1>,1|Cl<2>,1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.0455	0.349	2	118.0455	0.122	2	118.4243	0.491	3	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]B[3x6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]B[3x6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.7660	0.000	1	118.7660	0.000	1	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.0240	0.000	1	118.2074	0.109	5	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	118.4180	0.000	1	118.2074	0.109	5	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]B[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.1983	0.423	3	118.2074	0.109	5	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]B[5a,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]B[5a,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.4360	0.417	3	118.4360	0.174	3	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]B[6,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]B[6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.8415	1.073	2	118.8415	1.151	2	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]B[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]B[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.3253	0.212	3	118.3253	0.045	3	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|H<1>,2|N<3>}	119.5940	0.000	1	119.5940	0.000	1	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6,6]C[5a,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	120.0600	0.000	1	120.0600	0.000	1	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.8430	0.000	1	120.8430	0.000	1	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.2880	0.000	1	118.2880	0.000	1	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|F<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.0390	0.000	1	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	118.8230	0.241	7	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|F<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	118.5708	0.433	5	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.8518	0.341	6	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.7077	0.209	3	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.5890	0.000	1	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|I<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2280	0.000	1	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.4940	0.361	4	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.3500	0.000	1	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.7345	0.532	2	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	118.6950	0.000	1	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.8420	0.000	1	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.2410	0.000	1	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.5846	0.435	28	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.3432	0.297	4	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.1090	0.000	1	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.4792	0.232	6	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.2320	0.417	2	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){2|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.3590	0.000	1	118.6161	0.145	76	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|O<2>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,2|F<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	119.8640	0.314	2	119.8640	0.099	2	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Cl<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6]C[6,6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	119.8710	0.000	1	119.8710	0.000	1	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.1520	0.000	1	119.0951	0.684	37	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|N<4>}	119.1810	0.000	1	119.0951	0.684	37	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	118.8420	0.000	1	119.0951	0.684	37	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.9410	0.000	1	119.0951	0.684	37	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	118.6745	0.421	2	119.0951	0.684	37	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	119.5150	0.000	1	119.0951	0.684	37	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.0553	0.910	23	119.0951	0.684	37	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.4785	0.333	2	119.0951	0.684	37	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	120.0300	0.000	1	119.0951	0.684	37	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|H<1>,2|N<3>}	119.9140	0.000	1	119.0951	0.684	37	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.5160	0.000	1	119.0951	0.684	37	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.4250	1.475	2	119.0951	0.684	37	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.0700	0.000	1	121.7185	5.435	2	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	123.3670	0.000	1	121.7185	5.435	2	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	121.4790	0.697	4	121.4036	0.393	5	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|O<3>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	121.1020	0.000	1	121.4036	0.393	5	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.1780	0.218	2	118.8667	0.199	4	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]Ga[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.5555	0.402	2	118.8667	0.199	4	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	117.9900	0.000	1	118.4521	0.579	7	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	117.7700	0.082	2	118.4521	0.579	7	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|B<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.2220	0.000	1	118.4521	0.579	7	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|B<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.7030	0.000	1	118.4521	0.579	7	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Cl<1>,1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.8930	0.000	1	118.4521	0.579	7	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]Ge[6])(C[6]C[6]H)(H){1|Fe<5>,1|Ge<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.8170	0.000	1	118.4521	0.579	7	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H){3|Cl<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.6375	0.190	2	118.5383	0.028	4	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]In[6])(C[6]C[6]H)(H){3|Cl<1>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.4390	0.096	2	118.5383	0.028	4	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]Nb[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]Nb[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,5|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.5820	0.000	1	118.5820	0.000	1	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]O[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](N[6,6]C[6,6]O[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.3850	0.000	1	121.3850	0.000	1	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.3125	1.087	2	120.3125	1.181	2	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	117.8210	0.000	1	118.0615	0.116	2	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](N[6,6]Ge[5,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.3020	0.000	1	118.0615	0.116	2	118.9102	0.815	162	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]N[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.2990	0.000	1	120.2990	0.000	1	120.2990	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]S)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(S)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]S)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(S){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<1>}	121.6860	0.000	1	121.6860	0.000	1	121.6860	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	120.8260	0.000	1	120.8260	0.000	1	119.5141	1.069	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>}	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.9840	0.000	1	117.9840	0.000	1	119.5141	1.069	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){1|H<1>,2|F<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.4600	0.000	1	118.4600	0.000	1	119.5141	1.069	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	119.0690	0.000	1	119.0690	0.000	1	119.5141	1.069	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.7690	0.000	1	119.7670	0.175	4	119.5141	1.069	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.1890	0.000	1	119.7670	0.175	4	119.5141	1.069	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.5550	0.506	2	119.7670	0.175	4	119.5141	1.069	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]Ge[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](N[6,6a]C[6,6a]Ge[6a])(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.5980	0.000	1	118.5980	0.000	1	119.5141	1.069	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	121.1360	0.000	1	121.1360	0.000	1	119.5141	1.069	10	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	118.8685	0.837	2	118.8685	0.700	2	117.9832	0.548	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	117.2870	0.000	1	117.8062	0.868	5	117.9832	0.548	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	117.0920	0.000	1	117.8062	0.868	5	117.9832	0.548	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	118.2173	1.045	3	117.8062	0.868	5	117.9832	0.548	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|N<2>,1|N<3>}	118.3150	0.000	1	118.4015	0.015	2	117.9832	0.548	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Br<1>,2|N<3>}	118.4880	0.000	1	118.4015	0.015	2	117.9832	0.548	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	117.6942	0.420	8	117.6942	0.177	8	117.9832	0.548	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(Br){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	119.4630	0.000	1	119.4630	0.000	1	117.9832	0.548	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	118.0340	0.500	4	117.8843	0.474	9	117.9832	0.548	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	117.2130	0.005	3	117.8843	0.474	9	117.9832	0.548	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	118.5920	0.775	2	117.8843	0.474	9	117.9832	0.548	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Cl<1>,1|N<3>}	118.3992	0.506	4	118.3992	0.256	4	118.2884	1.958	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|N<3>}	118.4570	0.474	2	118.4570	0.224	2	118.2884	1.958	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<4>,1|N<3>}	117.9865	0.599	2	118.1242	3.280	14	118.2884	1.958	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<4>,1|N<3>}	117.5630	0.423	4	118.1242	3.280	14	118.2884	1.958	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|N<3>}	118.4393	2.380	8	118.1242	3.280	14	118.2884	1.958	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|N<3>}	118.3530	0.000	1	118.0925	0.136	2	118.2884	1.958	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Ni<6>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|Ni<6>,1|N<3>,1|O<2>}	117.8320	0.000	1	118.0925	0.136	2	118.2884	1.958	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(Cl){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|N<2>,1|N<3>}	118.9990	0.000	1	118.9990	0.000	1	118.2884	1.958	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|N<3>}	117.7610	1.236	2	117.7610	1.528	2	118.2884	1.958	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|N<3>}	118.5660	0.000	1	118.5660	0.000	1	118.2884	1.958	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]N[6]Re)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Re<6>,1|N<2>,1|O<2>}	C[6](N[6]N[6]Re)(C[6]C[6]H)(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cl<1>,1|N<3>}	120.2660	0.000	1	120.2660	0.000	1	118.2884	1.958	27	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(F){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|F<1>,1|N<3>,1|P<4>}	116.7230	0.000	1	116.8233	0.018	3	116.7266	0.182	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(F){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|F<1>,1|N<3>}	116.8735	0.144	2	116.8233	0.018	3	116.7266	0.182	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(F){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|F<1>,1|N<3>}	115.8735	0.035	2	116.5845	0.208	12	116.7266	0.182	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(F){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|F<1>,1|N<3>}	116.5672	0.300	6	116.5845	0.208	12	116.7266	0.182	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(F){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|F<1>,1|N<3>}	116.9660	0.285	4	116.5845	0.208	12	116.7266	0.182	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(F){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|F<1>,1|N<2>,1|N<3>}	116.7315	0.095	4	116.7315	0.009	4	116.7266	0.182	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]F)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]F)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(F){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|F<1>,1|N<3>}	117.4240	0.202	2	117.4240	0.041	2	116.7266	0.182	21	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]In[4])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|In<4>,2|C<3>}	C[6](N[6]C[6,6a]In[4])(C[6]C[6]H)(H){1|Cl<1>,1|Se<2>,1|Se<3>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	119.1470	0.000	1	119.1470	0.000	1	118.9900	0.049	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H)	C[6](N[6]C[6,6a]In[6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(H){1|In<4>,2|C<3>}	C[6](N[6]C[6,6a]In[6])(C[6]C[6]H)(H){1|Cl<1>,1|Se<2>,1|Se<3>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.8330	0.000	1	118.8330	0.000	1	118.9900	0.049	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Br){1|N<3>,2|H<1>}	118.1647	0.602	20	118.1647	0.362	20	118.0976	0.447	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|Br<1>,2|C<3>}	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	117.5055	0.272	2	118.0505	0.488	4	118.0976	0.447	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Br){1|C<4>,1|H<1>,1|N<3>}	118.5955	0.450	2	118.0505	0.488	4	118.0976	0.447	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Br){1|N<3>,2|H<1>}	117.4980	0.854	2	117.4980	0.730	2	118.0976	0.447	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|Br<1>,2|C<3>}	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	118.1064	0.936	5	118.1064	0.876	5	118.0976	0.447	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	117.7790	0.000	1	118.4302	0.204	5	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	118.5930	0.309	4	118.4302	0.204	5	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Cu<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	118.0105	0.146	2	117.8312	0.221	6	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	117.3400	0.580	2	117.8312	0.221	6	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	118.1430	0.086	2	117.8312	0.221	6	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	117.6070	0.000	1	117.6070	0.000	1	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	118.8510	0.000	1	118.8510	0.000	1	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<2>}	C[6](C[6]C[6]H)2(Cl){1|H<1>,1|N<2>,1|N<3>}	118.6200	0.000	1	118.6200	0.000	1	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	118.2010	0.178	2	118.2010	0.032	2	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	118.6490	0.149	3	118.5308	0.066	5	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	118.3535	0.340	2	118.5308	0.066	5	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|H<1>}	117.6805	0.175	2	117.5850	0.043	3	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	117.3940	0.000	1	117.5850	0.043	3	118.1678	0.261	24	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]F)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|F<1>,2|C<3>}	C[6](C[6]C[6]H)2(F){1|C<3>,1|H<1>,1|N<3>}	117.5880	0.710	2	117.5880	0.504	2	117.5880	0.504	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|C<4>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|Rh<6>,1|B<5>,1|C<3>,1|H<2>,2|B<6>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.5990	0.000	1	119.5990	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<4>,2|B<6>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5750	0.000	1	119.0800	0.192	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(H){1|C<3>,3|B<6>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3325	0.022	2	119.0800	0.192	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,3|B<6>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	119.3458	0.463	4	119.2705	0.115	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Ni<9>,1|B<5>,1|C<3>,2|B<6>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3420	0.150	2	119.2705	0.115	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<3>,1|C<4>,1|H<1>,3|B<6>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7040	0.000	1	119.2705	0.115	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<3>,2|H<1>,3|B<6>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3300	0.321	2	119.2705	0.115	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<9>,1|C<3>,2|H<1>,3|B<6>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2725	0.125	2	119.2705	0.115	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3,3,5,6,6a,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,6,6a,6a]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.5205	0.293	2	119.5205	0.086	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<6>,1|C<3>,1|H<2>,2|H<1>,3|B<6>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.2435	1.200	2	118.8407	1.042	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	C[6](N[6]B[3x3,5,4x6]C[6])(C[6]C[6]H)(H){1|Rh<7>,1|C<3>,1|H<2>,2|H<1>,3|B<6>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4380	0.509	2	118.8407	1.042	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3x3,5,5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3x3,5,5,6,6]C[6])(C[6]C[6]H)(H){1|B<5>,1|B<7>,1|C<3>,2|B<6>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.5720	0.161	2	119.5720	0.026	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3x3,5,5,7x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3x3,5,5,7x6]C[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.6335	0.049	2	119.6335	0.002	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4518	0.130	4	119.4545	0.032	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4210	0.304	2	119.4545	0.032	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4935	0.269	2	119.4545	0.032	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2477	0.431	3	119.3040	0.178	22	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5030	0.000	1	119.3040	0.178	22	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4246	0.389	8	119.3040	0.178	22	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3044	0.414	10	119.3040	0.178	22	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>}	C[6](N[6]B[5]N[6])(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|H<1>,1|N<3>}	118.1310	0.000	1	118.1310	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2263	0.158	6	119.2263	0.025	6	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6530	0.000	1	119.4279	0.134	15	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0805	0.028	2	119.4279	0.134	15	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.5503	0.278	12	119.4279	0.134	15	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4650	0.042	3	119.2785	0.084	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3830	0.276	2	119.2785	0.084	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8110	0.000	1	119.2785	0.084	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1280	0.344	2	119.2785	0.084	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3165	0.256	4	119.3165	0.065	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1969	1.347	8	119.2917	0.977	18	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4099	0.716	8	119.2917	0.977	18	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1980	0.363	2	119.2917	0.977	18	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){3|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.8620	0.000	1	119.8620	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|N<3>}	120.1640	0.000	1	120.1640	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.6210	0.000	1	119.6210	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.7720	0.010	2	119.7720	0.000	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	120.0485	0.779	4	119.7777	0.353	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.6010	0.154	2	119.7777	0.353	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4130	0.047	2	119.7777	0.353	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[5a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3655	0.364	2	119.3655	0.133	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.9605	0.176	4	118.9140	0.240	6	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.8210	1.041	2	118.9140	0.240	6	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	120.0820	0.000	1	120.0820	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.6005	0.634	2	118.3087	0.613	89	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.8712	0.370	5	118.3087	0.613	89	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.2007	0.505	13	118.3087	0.613	89	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.8178	0.904	8	118.3087	0.613	89	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	119.0620	0.000	1	118.3087	0.613	89	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.5355	0.313	2	118.3087	0.613	89	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3042	0.796	38	118.3087	0.613	89	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.6078	0.895	6	118.3087	0.613	89	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6217	1.113	9	118.3087	0.613	89	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.4773	0.710	3	118.3087	0.613	89	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6975	0.220	2	118.3087	0.613	89	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<3>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.4270	0.000	1	119.4270	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3090	0.000	1	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9860	0.000	1	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7110	0.000	1	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4120	0.000	1	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0475	0.472	31	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3450	0.000	1	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Rh<4>,1|H<1>,1|N<3>}	119.2270	0.000	1	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|H<1>,1|N<3>}	118.4840	0.000	1	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	116.7125	0.097	2	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9820	0.000	2	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.1573	0.122	4	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.6160	0.228	2	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5375	0.561	24	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Al<5>,1|C<4>,1|H<1>,1|N<3>}	118.7540	0.057	3	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.0927	0.103	3	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.7190	0.413	2	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3646	0.202	9	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8141	0.489	10	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|Sn<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Sn<3>,1|H<1>,1|N<3>}	118.7683	1.012	6	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Sn<4>,1|H<1>,1|N<3>}	118.2797	0.649	4	118.7177	0.443	109	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|As<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1750	0.000	1	119.1750	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Au)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Au)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3315	0.400	2	118.7548	1.133	30	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Au)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Au)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6566	1.045	25	118.7548	1.133	30	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Au)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Au)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.1310	0.000	1	118.7548	1.133	30	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Au)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Au)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7170	1.824	2	118.7548	1.133	30	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ba)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ba<12>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ba)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.4970	0.109	2	118.3830	0.471	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ba)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ba<13>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ba)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0283	0.282	3	118.3830	0.471	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ba)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ba<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ba)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.3283	0.388	3	118.3830	0.471	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Be)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Be<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Be)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1390	0.151	4	119.1390	0.023	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.3920	0.582	4	118.3713	0.227	12	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9465	0.706	2	118.3713	0.227	12	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.8210	0.000	1	118.3713	0.227	12	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5440	0.283	3	118.3713	0.227	12	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2710	0.379	2	118.3713	0.227	12	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6120	0.000	1	118.3609	0.207	22	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<12>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.6167	0.137	4	118.3609	0.207	22	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.6665	0.337	4	118.3609	0.207	22	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	117.9697	0.231	6	118.3609	0.207	22	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.7725	0.848	2	118.3609	0.207	22	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ca<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5664	0.335	5	118.3609	0.207	22	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.5400	0.000	1	118.7117	0.888	20	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.0645	0.545	6	118.7117	0.888	20	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.4820	0.000	1	118.7117	0.888	20	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	118.1230	0.291	3	118.7117	0.888	20	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<3>}	118.4710	0.000	1	118.7117	0.888	20	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.6230	1.346	8	118.7117	0.888	20	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.6342	0.990	18	119.6342	0.980	18	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.0423	1.176	3	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.9030	0.020	2	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9622	0.559	12	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5697	0.576	13	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.7625	0.037	2	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.6799	0.457	9	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5065	0.685	41	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5755	0.657	34	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1735	0.054	2	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7580	0.816	35	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2218	0.756	106	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5813	0.195	3	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4053	0.352	6	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.7760	0.185	4	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5290	0.000	1	118.4361	0.535	273	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|B<4>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.5720	0.000	1	118.5720	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.0880	0.105	2	119.1009	0.343	42	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.4150	0.714	2	119.1009	0.343	42	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,2|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.8560	0.000	1	119.1009	0.343	42	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.3290	0.000	1	119.1009	0.343	42	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.9140	0.000	1	119.1009	0.343	42	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.0895	0.516	35	119.1009	0.343	42	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|I<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	119.5620	0.000	1	119.5620	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.7530	0.000	1	119.6936	0.722	19	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|N<2>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.8655	0.853	2	119.6936	0.722	19	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.7516	0.922	14	119.6936	0.722	19	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.5860	0.462	2	119.6936	0.722	19	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	119.7175	0.114	2	119.7175	0.013	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|S<4>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	119.4667	0.068	3	119.4667	0.005	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2430	0.016	2	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	118.8550	0.508	2	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7735	0.463	17	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.7005	1.600	2	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.2707	0.668	23	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.9160	1.905	2	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7767	0.792	18	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0272	0.727	28	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7023	0.329	50	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4309	0.508	145	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.8922	0.692	19	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8756	0.519	35	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9009	0.664	302	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.0950	0.540	4	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.2420	0.765	24	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.4495	1.661	2	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.2620	0.308	3	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.1513	0.423	3	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1347	0.665	272	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8928	0.968	718	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Co<6>,1|H<1>,1|N<3>,1|O<2>}	118.6940	0.000	1	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7676	0.367	11	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.7180	0.120	2	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.6319	0.159	10	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.0440	0.373	2	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9032	0.284	5	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2289	0.569	34	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Co<7>,1|H<1>,1|N<3>,1|O<2>}	118.0330	0.000	1	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5240	0.000	1	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.9800	0.454	2	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.0740	0.000	1	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2828	0.182	6	118.8732	0.653	1747	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9960	0.163	2	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7675	0.077	2	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9400	0.000	1	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.3552	0.627	24	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.5210	0.000	1	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2313	0.200	6	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7300	0.417	4	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5501	1.122	45	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.0909	0.741	8	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.3698	0.749	25	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1239	0.474	20	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0398	0.685	98	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0190	0.000	1	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4570	0.201	2	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1448	0.463	6	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<8>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Cr<8>,1|H<1>,2|N<3>}	118.7753	0.292	6	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9210	0.203	3	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.6640	0.089	2	118.8221	0.621	256	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.5285	0.252	2	118.8563	0.588	43	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	118.4510	0.262	2	118.8563	0.588	43	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.8803	0.225	3	118.8563	0.588	43	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.1677	0.606	4	118.8563	0.588	43	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.1613	2.401	3	118.8563	0.588	43	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.9965	0.539	4	118.8563	0.588	43	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.8290	0.000	1	118.8563	0.588	43	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.0450	0.342	10	118.8563	0.588	43	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.0310	0.545	13	118.8563	0.588	43	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<8>,2|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.3960	0.000	1	118.8563	0.588	43	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.8115	0.081	4	119.8474	0.011	5	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.9910	0.000	1	119.8474	0.011	5	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	119.4895	0.059	2	119.5425	0.165	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	119.5955	0.694	2	119.5425	0.165	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8543	0.288	3	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4976	0.772	17	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.0212	0.456	6	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.8882	0.436	4	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0381	0.434	7	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6212	0.248	11	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5976	0.684	141	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.1810	0.455	2	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.0958	0.380	34	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	117.9440	0.458	2	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.8356	0.687	86	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	117.7140	0.000	1	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9835	1.441	126	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8170	0.699	232	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<2>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>}	119.3070	0.000	1	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	119.0540	0.000	1	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7116	0.735	365	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.8400	0.778	3	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1607	0.461	43	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.8355	0.310	2	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.8390	1.128	122	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8539	0.842	464	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|H<1>,1|N<3>}	119.1960	0.171	2	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Cu<5>,1|H<1>,2|N<3>}	118.4690	0.000	1	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|Br<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<2>,1|H<1>,1|N<3>}	118.5880	0.000	1	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7995	0.706	26	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4276	0.197	15	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9804	0.768	28	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7224	1.201	87	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<5>,1|H<1>,1|N<3>}	119.4870	0.000	1	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6430	0.337	2	118.7620	0.763	1836	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Er)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Er<15>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Er)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Er<15>,1|H<1>,2|N<3>}	118.4583	0.642	3	118.4583	0.412	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3290	1.364	4	118.5413	0.548	23	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<11>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3680	0.000	1	118.5413	0.548	23	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<13>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5075	0.163	2	118.5413	0.548	23	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<13>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0445	0.043	2	118.5413	0.548	23	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4989	0.416	12	118.5413	0.548	23	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Eu<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8370	1.908	2	118.5413	0.548	23	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.8330	0.000	1	118.5468	0.256	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.5075	0.224	2	118.5468	0.256	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.6482	0.627	5	118.5468	0.256	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.8500	0.297	2	118.5468	0.256	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<8>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.2260	0.000	1	118.5468	0.256	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.6690	0.000	1	119.6690	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6150	0.338	10	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.0660	0.000	1	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.2547	0.211	12	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0727	0.464	20	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4652	0.690	11	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7157	0.652	43	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1578	0.435	13	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.4590	0.000	1	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1699	0.394	65	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Fe<5>,1|H<1>,1|N<3>}	117.7510	0.000	1	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9097	0.525	38	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	118.1715	0.374	18	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8433	0.676	883	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	119.6293	0.842	6	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.3413	0.009	3	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.6909	0.537	95	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	119.0419	0.142	12	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.4307	0.270	3	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0463	0.706	119	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0616	0.949	580	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7008	0.345	13	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2328	0.263	4	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0627	0.145	4	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Fe<7>,1|H<1>,1|N<3>,1|O<2>}	118.4910	0.000	1	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5823	2.775	3	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	119.2795	0.239	4	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.6150	0.370	16	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.8930	0.810	2	118.9151	0.588	1981	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9390	0.000	1	119.0377	0.193	13	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0459	0.457	12	119.0377	0.193	13	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hf)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hf<10>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Hf)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Hf<10>,1|H<1>,2|N<3>}	118.4400	0.000	1	118.4400	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,2|C<3>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.7221	1.379	31	118.7221	1.902	31	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<3>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.1230	0.000	1	119.6878	0.569	13	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.8182	0.616	12	119.6878	0.569	13	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.3680	0.000	1	118.3803	0.571	21	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.7250	0.129	2	118.3803	0.571	21	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8195	0.703	8	118.3803	0.571	21	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4200	0.000	1	118.3803	0.571	21	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9102	0.722	9	118.3803	0.571	21	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6820	0.464	2	118.9383	0.521	20	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0738	0.983	6	118.9383	0.521	20	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9550	0.000	1	118.9383	0.521	20	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0005	0.600	11	118.9383	0.521	20	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.5990	0.000	1	118.8158	0.178	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.1890	0.000	1	118.8158	0.178	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.2340	0.112	2	118.8158	0.178	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.2500	0.000	1	118.8158	0.178	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.1060	0.109	2	118.8158	0.178	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.8080	0.000	1	118.8158	0.178	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.2455	0.043	2	119.2455	0.002	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	119.5050	0.000	1	119.5895	0.061	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<3>}	119.6177	0.296	3	119.5895	0.061	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0670	0.429	2	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1923	1.383	3	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.6690	1.284	2	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3365	1.466	2	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1277	0.954	55	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	129.2610	0.000	1	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<6>,1|H<1>,1|N<3>}	119.8510	0.000	1	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	117.2500	0.000	1	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.2702	0.941	20	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2503	0.876	56	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8317	1.062	1038	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2053	0.431	3	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	119.1340	0.000	1	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.4875	0.883	2	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	120.3637	0.994	3	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8994	1.036	59	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ir<7>,1|H<1>,1|N<3>}	120.0290	0.000	1	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ir<7>,1|C<4>,1|H<1>,1|N<3>}	119.1920	0.000	1	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ir<7>,1|H<1>,2|N<3>}	118.3480	0.000	1	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Ir<7>,1|H<1>,1|N<3>,1|N<4>}	118.4720	0.000	1	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Ir<7>,1|H<1>,1|N<3>,1|O<2>}	118.0190	0.000	1	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	118.2750	0.242	2	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8907	0.884	33	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	120.0692	0.317	5	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.8761	0.462	10	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.5230	0.153	2	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.6690	0.786	2	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4928	2.017	8	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0465	0.875	99	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8395	1.179	2	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<9>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Ir<9>,1|H<1>,1|N<3>,1|O<2>}	118.2170	0.000	1	118.8947	1.162	1418	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.6765	0.506	2	117.6765	0.256	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7903	0.547	9	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Mg<4>,1|H<1>,1|N<3>}	118.7010	0.000	1	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Al<4>,1|H<1>,1|N<3>}	117.8852	0.319	6	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.1994	0.566	10	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.3960	0.197	2	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	118.4410	0.239	4	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7354	0.643	44	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2207	0.341	3	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,2|H<1>}	115.9450	0.000	1	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.2562	0.701	5	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.4110	0.000	1	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1450	0.054	2	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3337	0.212	4	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<5>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Li<5>,1|H<1>,1|N<3>,1|N<4>}	117.5045	0.363	2	118.4677	0.497	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	117.3900	0.188	2	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9045	0.299	17	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2537	0.973	3	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<4>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,3|H<1>}	116.2590	0.000	1	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	117.6910	0.000	1	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.4628	0.538	6	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5980	0.478	4	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Mg<5>,1|H<1>,1|N<3>}	118.9380	0.000	1	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,3|H<1>}	117.6640	0.000	1	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	117.5482	0.342	12	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5803	0.228	7	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	116.6690	0.000	1	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.8366	0.607	18	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3843	0.545	3	118.4176	0.550	77	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,2|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.5695	0.643	2	119.1497	0.252	21	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.4880	0.000	1	119.1497	0.252	21	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.8110	0.000	1	119.1497	0.252	21	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.7520	0.008	4	119.1497	0.252	21	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.2364	0.323	12	119.1497	0.252	21	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,2|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.8600	0.000	1	119.1497	0.252	21	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.3453	0.453	3	119.3453	0.205	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	119.2680	0.076	2	119.2680	0.006	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7710	0.000	1	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1060	0.284	6	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.8829	0.364	18	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6468	0.156	6	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6152	0.455	13	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1827	0.406	4	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7794	0.352	14	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7666	0.736	36	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6606	0.651	245	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.1774	0.935	5	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1784	0.873	19	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0295	0.536	84	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6432	0.704	431	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6790	0.784	40	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.9712	0.314	5	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9432	0.725	23	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7364	0.731	16	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|Mn<7>,1|H<1>,1|N<3>,1|S<2>}	118.4820	0.000	1	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1625	0.145	2	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8934	0.493	8	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.4590	0.766	3	118.6888	0.467	980	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.5480	0.000	1	118.8913	0.088	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,2|C<3>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	119.0630	0.008	2	118.8913	0.088	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4809	0.640	8	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0337	0.463	21	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.9740	0.490	12	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.0545	0.448	2	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Mo<6>,1|H<1>,1|N<3>}	119.9690	0.000	1	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2906	0.695	46	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9776	0.697	59	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1510	0.000	1	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.9045	0.816	4	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2971	0.433	8	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|Se<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	118.9590	0.074	2	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6022	2.276	16	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.7840	0.151	2	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.8340	0.000	1	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	119.7660	0.000	1	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0005	0.391	2	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8454	0.501	11	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.0910	0.615	2	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.5720	0.000	1	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.3580	0.672	2	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	118.9365	0.018	2	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3546	0.184	10	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1177	0.088	3	119.1188	0.749	217	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.6710	0.181	2	118.7289	0.257	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Nb)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7418	0.562	9	118.7289	0.257	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Nd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Nd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8023	0.370	3	118.8023	0.137	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.1492	0.231	5	119.1218	0.118	33	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.0272	0.453	9	119.1218	0.118	33	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.1593	0.317	19	119.1218	0.118	33	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|I<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	119.4870	0.000	1	119.4870	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	121.0245	1.893	2	120.3374	0.829	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	120.1083	0.438	6	120.3374	0.829	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	120.1330	0.141	2	120.1330	0.020	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|S<4>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	119.4185	0.109	4	119.4185	0.012	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.6920	0.184	2	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	118.2498	0.288	4	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8802	0.609	34	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.3112	0.302	10	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1943	0.452	105	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0893	0.671	83	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5402	0.800	39	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1690	0.678	36	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.6620	0.000	1	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9731	0.476	22	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6800	0.681	23	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6736	0.651	331	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.9984	0.539	14	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.3332	0.572	14	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|N<4>}	118.2850	0.539	2	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.3710	0.040	2	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	118.7575	0.545	4	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<4>}	119.2360	0.233	3	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0537	0.545	185	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|N<3>}	119.0000	0.000	1	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6571	1.005	651	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6368	0.504	18	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3285	0.627	8	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5584	0.741	10	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.0138	0.325	4	118.7579	0.675	1606	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Np)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Np<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Np)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9273	0.184	3	118.9273	0.034	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<10>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<10>,1|C<4>,1|H<1>,1|N<3>}	120.3200	0.000	1	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	117.9100	3.384	7	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	117.5510	0.000	1	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4579	1.277	16	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	120.4480	0.610	2	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7580	1.229	2	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9950	0.478	7	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.8413	1.030	10	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.7073	0.380	3	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	119.6370	0.000	1	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.6703	1.148	10	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1921	1.206	229	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7640	0.830	2	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2800	0.396	4	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5544	0.534	5	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2650	0.000	1	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4016	0.433	5	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<8>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<8>,1|C<4>,1|H<1>,1|N<3>}	119.4660	0.494	3	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1945	0.407	2	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.7160	0.195	2	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.9990	0.000	1	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0320	1.130	4	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5399	0.692	10	119.1837	1.531	328	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pb)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pb<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pb)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2980	0.000	1	119.2980	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.4357	1.359	16	119.1593	1.280	47	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.2153	0.852	3	119.1593	1.280	47	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.4475	0.869	11	119.1593	1.280	47	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.8792	1.001	17	119.1593	1.280	47	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|I<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	119.3400	0.000	1	119.3400	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|N<2>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.7410	0.000	1	120.5040	1.549	53	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	120.5187	1.252	52	120.5040	1.549	53	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8360	0.177	2	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<2>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>}	119.4510	0.000	1	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	118.9726	0.268	5	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9303	0.680	173	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.5288	0.308	6	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.7622	0.849	77	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.3474	0.700	8	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.2165	1.795	2	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.3189	0.509	9	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	120.1480	0.810	3	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0713	1.020	420	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|N<3>}	120.1835	0.480	2	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0123	0.860	380	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|Se<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	118.3140	0.000	1	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9582	0.450	4	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.3166	0.410	7	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.5045	0.694	10	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1635	0.638	6	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8858	0.909	8	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9250	0.473	5	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0329	0.279	10	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3790	2.869	2	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8241	0.572	8	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9870	0.000	1	118.9870	0.803	1150	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.1529	0.934	7	119.2467	0.489	23	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.2767	0.572	4	119.2467	0.489	23	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.3282	0.648	5	119.2467	0.489	23	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.2651	0.678	7	119.2467	0.489	23	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	119.0130	0.000	1	119.6617	0.318	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	119.9860	0.072	2	119.6617	0.318	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	118.4450	0.129	2	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	119.1152	1.411	6	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0745	1.229	75	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.9422	1.323	9	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.7284	0.547	51	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.2830	0.000	1	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2238	0.670	117	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1493	1.008	736	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|Se<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	120.5970	0.000	1	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|H<1>,1|N<3>}	118.7574	1.035	10	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	118.7340	0.000	1	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7990	1.359	2	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.5740	0.000	1	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1170	0.000	1	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7116	0.473	8	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6361	0.945	15	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	118.4062	0.426	8	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6913	0.566	18	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.5518	0.756	5	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3560	0.903	20	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9701	0.723	112	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|H<1>,1|N<3>}	118.4142	0.338	6	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<5>,1|H<1>,1|N<3>}	119.2930	0.403	8	119.0879	0.904	1213	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pu<11>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.5310	0.253	4	119.9838	1.073	5	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pu<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	121.7950	0.000	1	119.9838	1.073	5	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.0463	1.344	12	119.1509	1.335	32	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<5>,2|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	118.4325	3.180	2	119.1509	1.335	32	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.4870	0.000	1	119.1509	1.335	32	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.7860	0.000	1	119.1509	1.335	32	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.8295	0.664	4	119.1509	1.335	32	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.4849	0.794	12	119.1509	1.335	32	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|N<2>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	121.1410	0.000	1	120.0707	0.450	6	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.8566	0.468	5	120.0707	0.450	6	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7890	0.000	1	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1149	2.407	24	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1806	0.829	9	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	119.2770	0.000	1	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0555	0.754	91	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.3371	0.881	15	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.7536	0.888	41	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	117.6700	0.000	1	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	118.9045	0.056	2	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.5308	1.073	83	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1796	1.379	307	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6970	0.008	2	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	118.9055	0.688	4	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.9790	0.000	1	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2635	0.149	2	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1570	0.000	1	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<8>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|Re<8>,1|H<1>,1|N<3>,1|S<2>}	119.5350	0.000	1	119.1797	1.595	586	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.1090	0.508	2	118.5694	0.578	7	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.4750	0.000	1	118.5694	0.578	7	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.4890	0.246	2	118.5694	0.578	7	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,2|C<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	117.6575	0.265	2	118.5694	0.578	7	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<3>}	120.1412	0.902	6	120.1412	0.814	6	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.8790	0.000	1	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9504	0.773	12	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3313	1.540	7	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4379	2.018	7	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.2517	0.225	3	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.6943	0.517	25	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	117.6161	2.415	7	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8942	0.516	12	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6840	1.561	20	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.1920	0.704	2	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4774	0.679	9	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3844	0.557	50	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9705	0.650	33	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Rh<6>,1|H<1>,2|N<3>}	118.0105	0.064	2	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5695	0.309	2	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4195	0.233	6	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5524	0.452	14	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.4730	0.000	1	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.3605	0.400	4	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.8870	0.000	1	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.0010	0.000	1	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.7450	0.000	1	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1611	0.400	9	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8625	0.590	82	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5555	0.288	4	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<9>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|Rh<9>,1|H<1>,1|N<3>,1|S<2>}	119.1830	0.075	2	118.8869	0.764	317	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.4297	1.248	4	119.0215	2.081	16	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.6033	1.420	4	119.0215	2.081	16	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.3570	0.125	5	119.0215	2.081	16	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.0510	0.000	1	119.0215	2.081	16	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	120.1880	2.380	2	119.0215	2.081	16	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	120.1527	0.260	3	120.1527	0.067	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	120.2650	0.091	2	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2280	0.349	2	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<10>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<10>,1|C<4>,1|H<1>,1|N<3>}	119.4225	0.670	2	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6987	0.483	23	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.8444	1.580	40	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1215	0.446	33	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8435	0.620	13	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	118.4069	0.492	8	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9709	0.782	125	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.8066	0.528	15	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.7719	0.664	23	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.3564	0.499	5	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4054	0.608	193	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1060	0.768	970	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ru<6>,1|H<1>,2|N<3>}	117.4040	0.000	1	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1604	0.445	8	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.6924	0.515	10	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.6195	0.227	2	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2644	0.556	29	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|H<1>,2|N<3>}	119.1280	0.318	2	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|H<1>,1|N<3>,1|N<4>}	119.9160	0.000	1	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|H<1>,1|N<3>,1|O<2>}	119.0710	0.000	1	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2010	0.389	2	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.7535	0.056	2	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.2243	0.662	19	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2018	0.233	12	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1763	0.522	31	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|C<4>,1|H<1>,1|N<3>}	119.1260	0.372	3	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	118.1580	0.358	2	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0677	0.697	22	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.3207	0.980	3	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.0290	0.728	21	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.6455	0.023	2	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.0670	0.000	1	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2622	0.466	12	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2578	0.620	81	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|H<1>,1|N<3>,1|N<4>}	119.7980	0.305	2	119.1019	0.591	1723	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sb)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sb<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sb)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2080	1.505	2	118.2080	2.264	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sc)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sc<13>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Sc)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|Sc<13>,1|H<1>,1|N<3>,1|S<2>}	117.9030	0.000	1	119.1809	0.399	7	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sc)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sc<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sc)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.5348	0.276	4	119.1809	0.399	7	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sc)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sc<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sc)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1120	0.146	2	119.1809	0.399	7	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.9065	0.359	2	119.9065	0.129	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.7260	0.000	1	119.4297	1.517	6	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.6848	1.498	4	119.4297	1.517	6	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1130	0.000	1	119.4297	1.517	6	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4235	1.537	2	118.9306	0.738	18	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<12>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7605	0.354	4	118.9306	0.738	18	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<13>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2615	0.814	2	118.9306	0.738	18	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<14>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0182	0.524	4	118.9306	0.738	18	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<14>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2440	0.000	1	118.9306	0.738	18	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<15>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1400	1.592	2	118.9306	0.738	18	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sm<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9140	0.346	3	118.9306	0.738	18	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1769	1.034	14	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	117.9662	0.926	9	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.5442	0.430	9	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5252	0.709	10	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.4075	0.449	6	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.8355	0.910	2	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.3920	0.192	3	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9008	0.538	6	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8732	0.582	29	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|Se<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	118.8293	0.389	3	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6590	0.699	4	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6265	0.185	4	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.6573	0.411	4	118.5495	0.513	103	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sr<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.0635	0.177	2	118.3632	0.227	16	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sr<12>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.6210	0.106	2	118.3632	0.227	16	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sr)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.5197	0.471	6	118.3632	0.227	16	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sr)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.5542	0.345	6	118.3632	0.227	16	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ta<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ta)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4740	0.000	1	119.2932	1.854	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ta<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ta)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7135	1.677	2	119.2932	1.854	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ta<10>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ta)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ta<10>,1|C<4>,1|H<1>,1|N<3>}	119.1300	0.922	2	119.2932	1.854	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ta<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ta)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.6773	1.587	6	119.2932	1.854	11	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Tc)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Tc)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9095	0.105	2	119.1563	1.258	27	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Tc)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Tc)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4046	0.721	22	119.1563	1.258	27	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Tc)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Tc<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Tc)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	117.5000	2.457	3	119.1563	1.258	27	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Te)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Te<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Te)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2300	0.000	1	119.0510	0.603	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Te)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Te<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Te)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4615	0.442	2	119.0510	0.603	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Th)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Th<14>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Th)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Th<14>,1|H<1>,1|N<3>}	117.4530	0.000	1	117.4530	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	119.3000	0.000	1	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0320	0.269	6	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<10>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ti<10>,1|C<5>,1|H<1>,1|N<3>}	118.2960	0.000	1	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<11>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3625	0.107	2	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<11>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ti<11>,1|C<4>,1|H<1>,1|N<3>}	119.0310	0.259	2	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<12>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2548	0.439	11	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9559	0.279	12	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2118	0.387	27	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8050	0.000	1	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0292	0.218	12	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ti<7>,1|H<1>,2|N<3>}	118.1030	0.000	1	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0683	0.269	14	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1320	0.051	2	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<9>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ti<9>,1|H<1>,2|N<3>}	119.2710	0.065	2	119.0807	0.134	94	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Yb<15>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Yb)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Yb<15>,1|H<1>,2|N<3>}	118.2880	0.000	1	118.2880	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.3005	0.032	2	119.0882	0.226	33	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.3086	0.207	9	119.0882	0.226	33	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,2|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.9834	0.258	5	119.0882	0.226	33	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.8623	0.217	3	119.0882	0.226	33	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,2|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.2630	0.242	4	119.0882	0.226	33	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	117.6425	0.076	2	119.0882	0.226	33	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.5380	0.000	1	119.0882	0.226	33	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.3077	0.337	7	119.0882	0.226	33	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|F<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.5167	0.182	3	119.5167	0.033	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|I<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	119.1880	2.309	2	119.1880	5.333	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.6760	0.673	12	119.6592	0.383	15	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	119.5920	0.428	3	119.6592	0.383	15	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	120.6650	0.000	1	120.6650	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|S<2>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	116.6145	0.441	2	116.6145	0.194	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4240	0.000	1	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7336	0.616	65	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	117.9516	0.362	7	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.0178	0.932	38	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|N<4>}	117.7710	0.000	1	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	119.0110	0.000	1	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.3620	0.000	1	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7578	1.152	73	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5429	0.674	121	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<2>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>}	119.3130	0.000	1	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7397	0.866	138	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.3250	0.109	2	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.8080	0.822	13	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.3160	0.000	1	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9900	1.026	117	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6053	0.586	176	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6347	0.923	77	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.3650	0.310	2	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1008	0.382	4	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9753	0.288	26	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6576	0.662	183	118.6589	0.667	1048	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0250	0.175	2	118.8561	1.121	17	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<13>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|H<1>,1|N<3>}	120.0180	0.000	1	118.8561	1.121	17	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<13>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8940	0.000	1	118.8561	1.121	17	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.8420	0.130	4	118.8561	1.121	17	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0945	1.981	4	118.8561	1.121	17	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<8>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Zr<8>,1|H<1>,2|N<3>}	117.4240	0.419	2	118.8561	1.121	17	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9993	0.235	3	118.8561	1.121	17	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<3>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	118.7710	0.275	3	119.3259	0.449	24	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.2170	0.000	1	119.3259	0.449	24	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|P<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	118.6900	0.000	1	119.3259	0.449	24	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.6950	0.000	1	119.3259	0.449	24	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.5504	0.609	18	119.3259	0.449	24	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2215	0.330	2	119.2215	0.109	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|I<1>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0200	0.163	2	118.9459	0.022	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]Ga[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9212	0.150	6	118.9459	0.022	8	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|P<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.6815	0.083	2	118.7810	0.129	5	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0435	0.497	2	118.7810	0.129	5	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4550	0.000	1	118.7810	0.129	5	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ge<5>,1|C<3>,1|H<1>}	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|N<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.7425	0.062	2	118.7425	0.004	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]In[3x5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[6]In[3x5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<4>,2|H<1>,3|N<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1545	0.606	2	119.1545	0.367	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]In[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[6]In[5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,2|H<1>,2|N<3>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.1887	0.424	4	119.1887	0.180	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]In[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	C[6](N[6]In[6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9295	0.042	2	118.9295	0.002	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]N[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|H<1>,1|N<2>}	C[6](N[6]N[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	117.2965	0.204	4	117.2965	0.042	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]N[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,1|N<2>}	C[6](N[6]N[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	117.3316	0.390	10	117.3950	0.122	14	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]N[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>}	C[6](N[6]N[6]Ni)(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>}	117.5535	0.167	4	117.3950	0.122	14	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]N[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,1|N<2>}	C[6](N[6]N[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	117.3785	0.851	4	117.3785	0.724	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]N[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|H<1>,1|N<2>}	C[6](N[6]N[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	119.1970	0.000	1	118.0216	0.297	7	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]N[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|H<1>,1|N<3>}	C[6](N[6]N[6]Re)(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|H<1>,1|N<3>}	117.8257	0.184	6	118.0216	0.297	7	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]N[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|H<1>,1|N<2>}	C[6](N[6]N[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	117.9510	0.000	1	117.9510	0.000	1	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]N[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,1|N<2>}	C[6](N[6]N[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,1|N<3>}	117.2542	0.506	4	117.2542	0.256	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Nb[3,3,3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<8>,1|C<3>,1|H<1>}	C[6](N[6]Nb[3,3,3x6]C[6])(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>,3|N<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.4505	0.081	2	119.4505	0.007	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Nb[3,3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	C[6](N[6]Nb[3,3]C[6])(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|N<2>,1|N<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2850	0.772	2	119.2850	0.596	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|Cl<2>,1|Nb<7>,1|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2040	0.368	4	119.5435	0.600	12	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|Nb<7>,3|Cl<2>,1|C<3>,1|N<2>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.3730	1.107	2	119.5435	0.600	12	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Cl<2>,1|Nb<7>,2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.8780	0.772	2	119.5435	0.600	12	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	C[6](N[6]Nb[3x3]C[6])(C[6]C[6]H)(H){1|Nb<7>,3|Cl<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	120.3010	0.472	4	119.5435	0.600	12	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Nb[3x5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<7>,1|C<3>,1|H<1>}	C[6](N[6]Nb[3x5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,6|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.8805	0.467	2	119.8805	0.218	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|P<4>,2|H<1>,3|N<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0150	0.023	2	119.0155	0.093	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	C[6](N[6]Nb[3x6]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|N<2>,2|H<1>,3|N<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.0160	0.528	2	119.0155	0.093	4	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Nb[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	C[6](N[6]Nb[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	119.2040	0.888	2	119.2040	0.789	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Nb<6>,1|C<3>,1|H<1>}	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|H<1>}	118.9690	0.341	2	118.9690	0.116	2	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<1>}	119.1903	0.089	3	119.1903	0.008	3	118.8958	0.798	18339	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]I)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)2(I){1|N<3>,2|H<1>}	119.3525	0.016	2	119.3525	0.000	2	118.8123	0.398	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]I)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|I<1>,2|C<3>}	C[6](C[6]C[6]H)2(I){1|C<3>,1|H<1>,1|N<3>}	118.2720	0.163	2	118.2720	0.026	2	118.8123	0.398	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|S<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|N<3>}	120.7260	0.000	1	120.7260	0.000	1	120.7260	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	116.7850	0.000	1	116.7850	0.000	1	116.7215	0.008	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	116.6580	0.000	1	116.6580	0.000	1	116.7215	0.008	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){2|Co<4>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.7880	0.000	1	119.7045	15.378	4	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){2|Co<6>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.3433	4.541	3	119.7045	15.378	4	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){2|Cu<4>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.0758	0.658	5	118.0758	0.433	5	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){2|Fe<6>,1|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.2474	0.646	7	118.2474	0.418	7	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){2|Ir<6>,1|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.8850	0.000	1	119.8850	0.000	1	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){2|Mn<6>,1|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.6808	0.563	6	117.6808	0.317	6	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){2|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.5750	1.077	4	118.5750	1.160	4	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){2|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	117.3460	0.000	1	117.3460	0.000	1	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){2|Pt<4>,1|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>}	117.8380	0.000	1	117.8380	0.000	1	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){2|Ru<6>,1|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.0950	0.000	1	119.0950	0.000	1	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){2|Zn<6>,1|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.9040	0.000	1	117.9040	0.000	1	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|Si<5>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(H){2|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	121.5300	0.000	1	121.5300	0.000	1	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)2(H)	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(H)	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6]H)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(H){2|As<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(H){2|As<2>,1|H<1>,1|N<3>,2|C<3>}	122.9595	0.349	2	122.9595	0.122	2	118.7303	3.585	34	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<3>}	120.4170	0.000	1	120.4170	0.000	1	119.9960	0.354	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(O){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	119.5750	0.000	1	119.5750	0.000	1	119.9960	0.354	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(S)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(S){1|N<2>,1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<1>}	118.7883	0.652	3	118.7883	0.425	3	118.7883	0.425	3	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[6]Cl)(C[6]C[6]H)(H)	C[6](P[6]C[6]Re)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]P[6]Cl)(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](P[6]C[6]Re)(C[6]C[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|P<3>}	123.2422	0.465	5	123.2422	0.216	5	123.2422	0.216	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]H)(H)	C[6](P[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](P[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|O<2>,1|P<3>}	122.9960	0.000	1	122.9960	0.000	1	124.0588	1.227	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]H)(H)	C[6](P[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](P[6]C[6]Re)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|H<1>,1|P<3>}	124.2714	1.093	5	124.2714	1.195	5	124.0588	1.227	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(I)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]I)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(I){1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]I)(O){1|C<3>,1|C<4>,1|H<1>}	122.7220	0.000	1	122.7220	0.000	1	122.7220	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]I)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(I){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]I)(H){1|O<1>,2|C<3>}	122.0610	0.000	1	122.0610	0.000	1	122.6740	0.752	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(I)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]I)(O)	C[6](C[6]C[6,6a]S)(C[6]C[6]I)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(I){1|C<3>,1|N<2>,1|S<4>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]I)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]S)(C[6]C[6]I)(H){1|O<1>,2|C<3>}	123.2870	0.000	1	123.2870	0.000	1	122.6740	0.752	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]C)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)2(I){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	120.0450	0.000	1	120.0450	0.000	1	120.1578	0.728	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)2(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	120.2523	0.611	6	120.2523	0.373	6	120.1578	0.728	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]I)(C[6]N[6]H)(H)	C[6](C[6]C[6]I)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(I){1|N<3>,2|H<1>}	C[6](C[6]C[6]I)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]I)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.0858	0.618	18	119.9905	0.533	19	120.1578	0.728	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]I)(C[6]N[6]H)(H)	C[6](C[6]C[6]I)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(I){1|N<3>,2|H<1>}	C[6](C[6]C[6]I)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]I)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.2750	0.000	1	119.9905	0.533	19	120.1578	0.728	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]I)2(H)	C[6](C[6]C[6]I)2(H)	C[6](C[6]C[6]H)2(I){1|C<3>,2|I<1>}	C[6](C[6]C[6]I)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]I)2(H){1|C<3>,1|H<1>,1|O<1>}	122.7380	0.000	1	122.7380	0.000	1	120.1578	0.728	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]N[6])(C[6]C[6]I)(H)	C[6](C[6]C[6]I)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(I){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]I)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]I)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.3110	0.031	2	119.3110	0.001	2	120.1578	0.728	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]N[6])(C[6]C[6]I)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]I)(H)	C[6](C[6]C[6]H)2(I){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]I)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]I)(H){1|Pt<4>,1|H<1>,3|C<3>}	121.0775	0.063	2	121.0775	0.004	2	120.1578	0.728	31	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]C)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	121.1810	0.000	2	121.1810	0.000	2	120.9955	0.025	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	120.8805	0.107	2	120.8805	0.011	2	120.9955	0.025	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]I)2(H)	C[6](C[6]C[6]I)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|C<3>,2|I<1>}	C[6](C[6]C[6]I)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]I)2(O){1|C<3>,2|H<1>}	120.9250	0.096	2	120.9250	0.009	2	120.9955	0.025	6	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|Br<1>,1|C<3>,1|H<1>}	118.2570	0.000	1	119.5702	0.587	25	119.2088	0.602	48	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.6250	0.731	24	119.5702	0.587	25	119.2088	0.602	48	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]I)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]I)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	118.4932	0.601	5	118.8159	0.336	23	119.2088	0.602	48	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]I)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]I)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.9055	0.558	18	118.8159	0.336	23	119.2088	0.602	48	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]I)(C[6]C[6]O)(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(I)	C[6](C[6]C[6]I)2(O)	C[6](C[6]C[6]I)(C[6]C[6]O)(I){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(I){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]I)2(O){1|C<3>,2|I<1>}	121.3330	0.701	2	121.3330	0.492	2	121.3330	0.492	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(O)	C[6](C[6]C[6]I)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(I){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]I)(C[6]C[6]O)(O){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(O){1|C<3>,1|I<1>,1|O<1>}	122.1975	0.173	2	122.1975	0.030	2	120.8400	1.640	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)2(O)	C[6](C[6]C[6]I)2(O)	C[6](C[6]C[6]O)2(I){1|C<3>,2|I<1>}	C[6](C[6]C[6]I)2(O){1|C<3>,2|O<1>}	C[6](C[6]C[6]I)2(O){1|C<3>,2|O<1>}	120.3875	1.144	6	120.3875	1.308	6	120.8400	1.640	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|H<1>,2|N<3>}	118.9120	0.000	1	118.9120	0.000	1	119.9298	0.627	17	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]I)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|I<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]I)2(H){1|N<3>,2|H<1>}	119.9934	0.772	16	119.9934	0.596	16	119.9298	0.627	17	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](N[6]C[6]Co)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	118.9570	0.000	1	118.9570	0.000	1	118.9682	0.182	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](N[6]C[6]Ni)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	118.8790	0.000	1	118.8790	0.000	1	118.9682	0.182	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](N[6]C[6]Pd)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	119.6300	0.000	1	119.6300	0.000	1	118.9682	0.182	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(I)	C[6](N[6]C[6]Zn)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(I){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]I)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|N<3>,2|H<1>}	118.6875	0.354	2	118.6875	0.126	2	118.9682	0.182	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.2940	0.000	1	117.2940	0.000	1	117.2940	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	116.7442	0.705	4	116.7442	0.497	4	116.7442	0.497	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	117.8495	0.434	4	117.7770	0.296	8	117.7770	0.296	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O)	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[3x6]C[3x6]2)(C[6]C[6]O)(H){1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	117.7045	0.699	4	117.7770	0.296	8	117.7770	0.296	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[3x6]-3:C[6]-3:I-1:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[3x6]I)(C[6]N[6,6]O)(O)	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]O)(I)	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[3x6]I)(C[6]N[6,6]O)(O){3|C<4>}	C[6](C[3x6]C[4x6]C[6,6])(C[6]C[6]O)(I){1|H<1>,1|N<3>,1|O<1>,4|C<4>}	C[6](N[6,6]C[4x6]C[6])(C[6]C[6]O)(O){1|C<3>,1|I<1>,2|H<1>,3|C<4>}	117.7300	0.000	1	117.7300	0.000	1	117.7300	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(Cl)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,5,6]O[5])(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,2|C<4>}	116.1610	0.000	1	116.1610	0.000	1	116.1610	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O)	C[6](C[5,6]C[3,5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[3,5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<4>}	C[6](C[5,6]C[3,5,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3,5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.3720	0.000	1	118.3720	0.000	1	118.0387	1.114	3	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	116.8570	0.000	1	116.8570	0.000	1	118.0387	1.114	3	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	118.8870	0.000	1	118.8870	0.000	1	118.0387	1.114	3	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[5,6]H)(C[6]C[6]I)(O)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(I)	C[6](C[6]C[5,6]H)(C[6]C[6]I)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]O)(H){1|I<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(I){1|H<1>,2|C<3>}	117.3200	0.000	1	117.3200	0.000	1	117.3200	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|N<3>}	118.3360	0.000	1	118.3360	0.000	1	118.0505	0.193	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(O){1|H<1>,1|N<3>,3|C<3>}	117.7050	0.000	1	117.7050	0.000	1	118.0505	0.193	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|N<3>}	118.5140	0.000	1	118.5140	0.000	1	118.0505	0.193	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	117.6470	0.000	1	117.6470	0.000	1	118.0505	0.193	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O)	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(O){1|C<3>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	119.5140	0.000	1	119.5810	0.009	2	119.5810	0.009	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O)	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(O){1|C<3>,2|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	119.6480	0.000	1	119.5810	0.009	2	119.5810	0.009	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6]H)(C[6]C[6]Br)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6,6]H)(C[6]C[6]Br)(O){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br){1|C<3>,1|H<1>,2|C<4>}	115.4430	0.341	2	115.4430	0.116	2	115.4430	0.116	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]O)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	116.1460	0.000	1	116.1460	0.000	1	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	116.3840	0.000	1	116.3840	0.000	1	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	115.9570	0.000	1	116.6416	0.347	60	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.3050	0.000	1	116.6416	0.347	60	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	117.1100	0.195	2	116.6416	0.347	60	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.3880	0.000	1	116.6416	0.347	60	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.5870	0.273	2	116.6416	0.347	60	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	117.2425	0.449	2	116.6416	0.347	60	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.7540	0.000	1	116.6416	0.347	60	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.6080	0.654	43	116.6416	0.347	60	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|F<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	116.7388	0.251	6	116.6416	0.347	60	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	116.6390	0.000	1	116.6416	0.347	60	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	118.9550	0.000	1	118.9550	0.000	1	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]P[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6,6]C[6,6]P[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	115.8760	0.000	1	115.8760	0.000	1	116.6541	0.424	64	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O){1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	116.8208	0.230	4	116.8208	0.053	4	116.8208	0.053	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	117.6650	0.000	1	117.1785	0.473	2	117.1785	0.473	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	116.6920	0.000	1	117.1785	0.473	2	117.1785	0.473	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	119.0740	1.603	4	119.0740	2.571	4	119.1592	1.964	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	119.5000	0.000	1	119.5000	0.000	1	119.1592	1.964	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(O){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(Br){1|O<1>,4|C<3>}	116.5310	0.000	1	116.5310	0.000	1	116.5310	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(O){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|Cl<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(Cl){1|C<3>,1|N<2>,1|O<1>}	117.4530	0.000	1	117.4530	0.000	1	117.4530	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	117.4855	0.132	2	117.4855	0.017	2	117.8889	0.294	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	117.8780	0.000	1	117.8780	0.000	1	117.8889	0.294	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]N[5a])(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]N[5a])(C[6]C[6]O)(H){1|O<1>,4|C<3>}	116.9960	0.000	1	116.9960	0.000	1	117.8889	0.294	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	118.6470	0.372	2	118.6470	0.138	2	117.8889	0.294	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]S)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]S)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	117.9953	0.347	3	117.9953	0.120	3	117.8889	0.294	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]O)(O){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	118.1630	0.000	1	118.1630	0.000	1	117.8889	0.294	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	117.4900	0.000	1	117.4900	0.000	1	117.8889	0.294	11	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	114.5710	0.000	1	114.5710	0.000	1	114.6786	1.974	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	115.6398	0.728	5	115.6398	0.530	5	114.6786	1.974	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)2(O){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Br){1|Br<1>,1|C<3>,1|O<1>}	115.4710	0.000	1	115.4710	0.000	1	114.6786	1.974	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	113.1700	0.000	1	113.4817	0.315	7	114.6786	1.974	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	113.4760	0.000	1	113.4817	0.315	7	114.6786	1.974	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|S<4>}	113.5373	0.769	4	113.4817	0.315	7	114.6786	1.974	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	113.5770	0.000	1	113.4817	0.315	7	114.6786	1.974	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)2(O){1|C<3>,2|O<2>}	C[6](C[6]C[6]O)2(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Br){1|Br<1>,1|C<3>,1|O<1>}	117.5660	0.000	1	117.5660	0.000	1	114.6786	1.974	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|Cl<1>,1|C<3>}	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]C)(C[6]C[6]O)(C)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(C){1|Cl<1>,1|C<3>,1|O<1>}	115.1940	0.714	2	115.1940	0.510	2	115.1940	0.510	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[4,6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	114.1010	0.000	1	114.1010	0.000	1	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	115.5610	0.000	1	115.5610	0.000	1	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	115.1490	0.083	2	115.8099	0.840	84	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	115.9158	0.915	72	115.8099	0.840	84	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	115.1801	0.713	10	115.8099	0.840	84	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]O)(C[6]C[6]S)(Cl)	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	116.2570	0.786	2	116.2570	0.618	2	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	116.9880	0.000	1	116.9880	0.000	1	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	112.2780	0.000	1	113.3245	0.701	15	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|S<4>}	114.1650	0.987	4	113.3245	0.701	15	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,2|C<3>}	113.2966	0.308	8	113.3245	0.701	15	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){2|Cl<1>,1|C<3>}	112.2785	0.330	2	113.3245	0.701	15	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]N[5])(C[6]C[6]O)(Cl)	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	117.1940	0.000	1	117.1940	0.000	1	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	116.8800	0.000	1	116.8800	0.000	1	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|O<2>}	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	115.8215	0.839	2	115.8215	0.704	2	115.4887	1.591	108	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|O<1>}	117.1275	0.264	2	117.1275	0.070	2	116.3458	2.718	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|F<1>}	115.7490	0.415	4	116.1224	3.350	7	116.3458	2.718	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|O<1>}	115.7800	0.000	1	116.1224	3.350	7	116.3458	2.718	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|Cl<1>,1|C<3>}	117.0405	4.150	2	116.1224	3.350	7	116.3458	2.718	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){2|Cl<1>,1|C<3>}	117.3363	0.392	28	117.3363	0.154	28	117.3363	0.154	28	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)2(O){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,1|F<1>,1|O<1>}	115.5834	0.813	20	115.3776	0.895	23	115.3776	0.895	23	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)2(O){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(F){1|C<3>,2|F<1>}	114.0050	0.565	3	115.3776	0.895	23	115.3776	0.895	23	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|C<4>,2|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	117.4720	0.000	1	117.4720	0.000	1	117.4720	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<3>,2|H<1>}	115.5160	0.000	1	115.5160	0.000	1	116.1745	0.867	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|Br<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<3>,1|H<1>,1|O<1>}	116.8330	0.000	1	116.8330	0.000	1	116.1745	0.867	2	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(O){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|C<3>,2|H<1>}	116.1320	0.000	1	116.1320	0.000	1	116.1320	0.000	1	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[3,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<4>}	C[6](C[6]C[3,6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[3,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.9800	0.000	1	116.9800	0.000	1	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[4,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.4920	0.000	1	116.4920	0.000	1	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.0980	0.000	1	116.0980	0.000	1	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.0840	0.000	1	116.0840	0.000	1	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.9220	0.000	1	116.9353	0.033	3	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	116.9420	0.255	2	116.9353	0.033	3	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	117.0470	0.000	1	117.0470	0.000	1	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	118.2585	0.906	2	118.2585	0.820	2	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|Cl<1>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	116.6080	0.000	1	116.6080	0.000	1	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.5820	0.318	3	116.8415	0.238	42	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	116.9270	1.121	5	116.8415	0.238	42	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	117.1763	0.115	3	116.8415	0.238	42	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	116.6530	0.451	2	116.8415	0.238	42	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.7960	0.113	2	116.8415	0.238	42	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	117.0270	0.509	5	116.8415	0.238	42	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	116.8320	0.020	2	116.8415	0.238	42	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	116.6944	0.391	8	116.8415	0.238	42	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	116.8732	0.366	5	116.8415	0.238	42	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	116.8309	0.329	7	116.8415	0.238	42	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.6550	0.427	2	117.6550	0.182	2	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	118.1200	0.000	1	118.2395	0.029	2	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	118.3590	0.000	1	118.2395	0.029	2	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	118.0430	0.000	1	118.0430	0.000	1	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	116.3413	0.171	3	116.7630	0.196	8	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	117.3520	0.000	1	116.7630	0.196	8	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	116.7290	0.337	2	116.7630	0.196	8	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	117.1350	0.206	2	116.7630	0.196	8	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	118.1420	0.086	2	118.1420	0.007	2	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	115.7250	0.000	1	116.1270	0.323	2	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|Br<1>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.5290	0.000	1	116.1270	0.323	2	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	118.2617	0.653	9	118.3792	0.518	10	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	119.4370	0.000	1	118.3792	0.518	10	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	118.0230	0.000	1	117.1130	1.656	2	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	116.2030	0.000	1	117.1130	1.656	2	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	118.9290	0.000	1	118.9290	0.000	1	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	117.5050	0.294	2	117.5050	0.087	2	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	117.7300	0.000	1	119.4110	4.183	3	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	120.2515	2.032	2	119.4110	4.183	3	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	117.4860	0.000	1	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	117.7817	1.067	14	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|F<1>,1|H<1>}	117.1210	0.000	1	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<1>}	118.5733	1.811	6	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<2>}	118.4550	0.000	1	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	116.5170	0.000	1	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	117.2286	0.721	32	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	117.8050	1.109	59	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	119.5070	0.000	1	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	116.7285	0.028	2	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<4>}	117.1311	0.295	10	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	118.3410	1.826	4	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|H<1>}	116.6500	0.000	1	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	117.5796	2.385	23	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	116.8310	0.000	1	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.2110	0.000	1	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	120.7290	0.000	1	117.6425	1.838	159	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]I)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	118.2755	0.593	2	118.2755	0.352	2	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	117.9210	0.000	1	119.5369	3.866	7	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	117.7550	0.000	1	119.5369	3.866	7	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	120.2164	1.943	5	119.5369	3.866	7	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	117.2940	0.000	1	117.2940	0.000	1	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	118.4180	0.000	1	118.4180	0.000	1	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(O){1|N<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|H<1>}	116.9420	0.000	1	116.9420	0.000	1	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)2(O){1|O<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]O[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	115.0540	0.000	1	115.0540	0.000	1	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(O){1|C<3>,2|O<2>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|H<1>}	121.7205	1.084	2	119.7767	5.477	4	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|O<2>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	117.5660	0.000	1	119.7767	5.477	4	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(O){1|C<4>,2|O<2>}	C[6](C[6]C[6]O)2(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]O)2(H){1|H<1>,1|O<2>,2|C<3>}	118.1000	0.000	1	119.7767	5.477	4	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Si)(C[6]C[6]O)(H)	C[6](C[6]C[6]Si)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){2|Si<4>,1|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Si)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	117.7360	0.298	6	117.7360	0.089	6	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	117.6945	0.165	2	117.6945	0.027	2	117.5872	1.756	272	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|C<3>,1|H<1>,1|O<1>}	117.2430	0.103	2	117.2470	0.004	4	117.2526	0.003	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|I<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|H<1>,2|C<3>}	117.2510	0.000	2	117.2470	0.004	4	117.2526	0.003	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]O)2(I){1|C<3>,1|H<1>,1|O<1>}	117.2750	0.000	1	117.2750	0.000	1	117.2526	0.003	5	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	119.3880	1.406	3	119.3880	1.978	3	119.6618	3.783	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	118.1083	0.520	3	118.1083	0.270	3	119.6618	3.783	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	120.2300	0.000	1	120.2300	0.000	1	119.6618	3.783	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	122.1185	2.432	2	122.1185	5.913	2	119.6618	3.783	9	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]I)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|C<3>,2|I<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|C<3>,2|I<1>}	118.7190	0.000	1	118.7190	0.000	1	119.2000	1.589	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)2(O)	C[6](C[6]C[6]I)(C[6]C[6]O)(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(I)	C[6](C[6]C[6]I)2(O){1|C<3>,2|I<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(I){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(I){1|C<3>,1|I<1>,1|O<1>}	117.2410	0.000	1	117.2410	0.000	1	119.2000	1.589	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)2(O)	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)2(O){1|C<3>,2|O<1>}	C[6](C[6]C[6]O)2(I){1|C<3>,2|I<1>}	C[6](C[6]C[6]O)2(I){1|C<3>,2|I<1>}	119.6067	1.101	6	119.6067	1.212	6	119.2000	1.589	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	117.8521	0.839	18	118.0320	0.736	36	118.0320	0.736	36	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Br){1|C<3>,2|O<1>}	118.2119	0.863	18	118.0320	0.736	36	118.0320	0.736	36	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	117.7717	0.649	79	118.1674	0.435	186	118.1674	0.435	186	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,2|O<1>}	118.5801	0.421	79	118.1674	0.435	186	118.1674	0.435	186	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	118.1192	0.540	28	118.1674	0.435	186	118.1674	0.435	186	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]O)2(F){1|C<3>,1|O<1>,1|O<2>}	116.9000	0.116	2	117.1208	0.080	4	117.1208	0.080	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]O)2(F){1|C<3>,2|O<1>}	117.3415	0.175	2	117.1208	0.080	4	117.1208	0.080	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,1|S<2>}	117.3092	0.168	4	117.3092	0.028	4	117.8063	1.066	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|O<1>}	116.5253	1.198	3	117.9870	1.350	11	117.8063	1.066	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<1>,1|O<2>}	118.5351	0.509	8	117.9870	1.350	11	117.8063	1.066	15	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)(C[6]C[6]O)(O)	C[6](C[6]C[6]I)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(O){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(O){1|C<3>,1|I<1>,1|O<2>}	C[6](C[6]C[6]O)2(I){1|C<3>,1|O<1>,1|O<2>}	118.3685	0.045	2	118.3817	0.130	4	118.3817	0.130	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)(C[6]C[6]O)(O)	C[6](C[6]C[6]I)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(O){1|C<3>,1|I<1>,1|O<2>}	C[6](C[6]C[6]I)(C[6]C[6]O)(O){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]O)2(I){1|C<3>,2|O<1>}	118.3950	0.622	2	118.3817	0.130	4	118.3817	0.130	4	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]O)2(O){1|C<3>,2|O<1>}	C[6](C[6]C[6]O)2(O){1|C<3>,2|O<1>}	C[6](C[6]C[6]O)2(O){1|C<3>,2|O<1>}	119.8274	0.551	12	119.8274	0.304	12	119.8274	0.304	12	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(S){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	114.0700	0.154	2	114.9780	0.515	6	115.1492	0.577	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(S){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	115.4320	0.163	4	114.9780	0.515	6	115.1492	0.577	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	115.0460	0.000	1	115.0460	0.000	1	115.1492	0.577	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(S){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	116.2800	0.000	1	116.2800	0.000	1	115.1492	0.577	8	119.2928	1.320	54890	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)2(OH){1|C<3>,1|H<1>}	121.5980	0.000	1	121.5980	0.000	1	121.9405	0.235	2	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]S)(H)	C[6](C[6]C[6]Br)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|S<4>}	C[6](C[6]C[6]Br)(C[6]C[6]S)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)2(OH){1|C<3>,1|H<1>}	122.2830	0.000	1	122.2830	0.000	1	121.9405	0.235	2	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]){1|O<1>,2|C<3>}	123.5140	0.000	1	123.5140	0.000	1	123.5140	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]Cl)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(Cl){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]Cl)(OH){1|O<1>,2|C<3>}	120.4725	0.651	2	120.4725	0.424	2	120.4725	0.424	2	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]H)(C[6]N[6]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,2|N<3>}	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|N<3>}	117.5100	0.000	1	117.5100	0.000	1	117.5100	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H){1|Cu<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(NC[6]){1|C<3>,1|H<1>,1|N<3>}	118.9110	0.000	1	118.9110	0.000	1	119.2303	0.080	3	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Li)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]Li)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	119.3900	0.088	2	119.3900	0.008	2	119.2303	0.080	3	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(OP)	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|N<3>}	118.1130	0.914	2	118.1130	0.835	2	118.1837	0.432	3	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Pt)(C[6]C[6]H)(OP)	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](N[6]C[6,6]Pt)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|N<3>}	118.3250	0.000	1	118.3250	0.000	1	118.1837	0.432	3	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|O<1>,2|C<3>}	122.6210	0.000	1	122.6210	0.000	1	121.2027	0.960	4	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	120.7300	0.315	3	120.7300	0.099	3	121.2027	0.960	4	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NN)	C[6](C[6]C[6,6a]H)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NN){1|H<1>,2|C<3>}	121.8705	0.231	2	121.8705	0.053	2	121.8705	0.053	2	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC){1|H<1>,2|C<3>}	121.1540	0.000	1	121.1540	0.000	1	118.7905	1.354	6	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CN){1|H<1>,2|C<3>}	118.4010	0.000	1	118.4010	0.000	1	118.7905	1.354	6	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CN){1|H<1>,2|C<3>}	118.2335	0.182	2	118.2335	0.033	2	118.7905	1.354	6	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CN){1|H<1>,2|C<3>}	118.2950	0.000	1	118.2950	0.000	1	118.7905	1.354	6	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CW)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CW){1|H<1>,2|C<3>}	118.4260	0.000	1	118.4260	0.000	1	118.7905	1.354	6	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NN)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Co<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NN){1|H<1>,2|C<3>}	118.9220	0.000	1	118.9220	0.000	1	120.6246	2.733	8	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Cu<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|N<2>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(NC[6]){1|C<3>,1|H<1>,1|N<2>}	119.1240	0.000	1	119.1240	0.000	1	120.6246	2.733	8	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(NN)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(NN){1|H<1>,2|C<3>}	118.9340	0.000	1	118.9340	0.000	1	120.6246	2.733	8	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6]){1|H<1>,2|C<3>}	122.1008	0.679	4	122.1008	0.461	4	120.6246	2.733	8	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(NP)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(NP){1|H<1>,2|C<3>}	119.6140	0.000	1	119.6140	0.000	1	120.6246	2.733	8	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H){1|Cd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	118.5980	0.628	2	118.5980	0.394	2	119.4763	1.593	22	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H){1|Co<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	119.1060	1.322	2	119.1060	1.748	2	119.4763	1.593	22	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	118.6365	0.925	4	118.6365	0.856	4	119.4763	1.593	22	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(OCu)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H){1|Cu<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(OCu){1|H<1>,2|C<3>}	120.8835	0.056	2	120.8835	0.003	2	119.4763	1.593	22	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(OH){1|H<1>,2|C<3>}	121.4877	0.547	3	121.4877	0.300	3	119.4763	1.593	22	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	118.3660	0.000	1	118.3660	0.000	1	119.4763	1.593	22	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(OH){1|H<1>,2|C<3>}	119.3255	1.624	2	119.3255	2.638	2	119.4763	1.593	22	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H){1|Ru<9>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(OH){1|H<1>,2|C<3>}	120.7400	0.000	1	120.7400	0.000	1	119.4763	1.593	22	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(H){1|Zn<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	118.9074	0.265	5	118.9074	0.070	5	119.4763	1.593	22	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC){1|O<1>,2|C<3>}	121.8563	0.103	3	121.9030	0.016	4	122.6075	3.210	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC){1|O<1>,2|C<3>}	122.0430	0.000	1	121.9030	0.016	4	122.6075	3.210	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OCd)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OCd){1|O<1>,2|C<3>}	124.0020	0.000	1	124.0020	0.000	1	122.6075	3.210	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OCo)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OCo){1|O<1>,2|C<3>}	127.8290	0.000	1	127.8290	0.000	1	122.6075	3.210	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OH){1|O<1>,2|C<3>}	121.8837	0.721	4	121.8837	0.520	4	122.6075	3.210	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OIr)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OIr){1|O<1>,2|C<3>}	122.1560	0.051	2	122.1560	0.003	2	122.6075	3.210	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC[6a]){1|O<1>,2|C<3>}	123.1600	0.000	1	122.9685	0.073	2	122.4904	0.269	5	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|O<2>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC[6a]){1|O<1>,2|C<3>}	122.7770	0.000	1	122.9685	0.073	2	122.4904	0.269	5	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC)	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC){1|O<1>,2|C<3>}	122.3705	0.052	2	122.3705	0.003	2	122.4904	0.269	5	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(O){1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC[6a]){1|O<1>,2|C<3>}	121.7740	0.000	1	121.7740	0.000	1	122.4904	0.269	5	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Se-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]Se)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SeC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]Se)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|Se<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SeC[6a]){1|O<1>,2|C<3>}	121.7260	0.000	1	121.7260	0.000	1	121.7260	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)2(CN){1|Br<1>,1|C<3>,1|O<2>}	118.0840	0.000	1	118.0840	0.000	1	118.0840	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<2>,1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Ni<6>,1|C<3>,1|H<1>}	118.8280	0.000	1	118.8280	0.000	1	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>}	C[6](C[6]C[6]H)2(CC){1|C<3>,1|H<1>}	120.6500	0.000	1	120.6500	0.000	1	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|C<3>,2|H<1>}	120.2850	0.311	2	120.2850	0.097	2	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|C<3>,2|H<1>}	120.1945	0.466	2	120.1945	0.217	2	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC){1|C<3>,3|H<1>}	120.3670	0.000	1	120.3670	0.000	1	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Cu<4>,1|C<3>,1|H<1>}	119.8257	0.275	3	119.5289	0.808	58	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ir<6>,1|C<3>,1|H<1>}	119.5980	0.000	1	119.5289	0.808	58	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	118.9530	0.000	1	119.5289	0.808	58	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pt<4>,1|C<3>,1|H<1>}	119.4533	1.014	42	119.5289	0.808	58	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Re<6>,1|C<3>,1|H<1>}	119.7747	0.589	7	119.5289	0.808	58	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ru<6>,1|C<3>,1|H<1>}	119.8260	0.229	3	119.5289	0.808	58	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ru<8>,1|C<3>,1|H<1>}	119.7070	0.000	1	119.5289	0.808	58	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<3>,2|H<1>}	119.2680	0.000	1	119.2680	0.000	1	119.5871	0.780	66	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-2:	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(IC[6a])	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|I<2>}	C[6](C[6]C[6]H)2(IC[6a]){1|C<3>,2|H<1>}	119.2205	0.859	2	119.2205	0.738	2	119.2205	0.738	2	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6])	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|P<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]){1|C<3>,2|H<1>}	122.7355	0.146	2	122.7355	0.021	2	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6]H)2(NC){1|C<3>,1|H<1>,1|O<1>}	119.9220	0.000	1	119.9220	0.000	1	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NO){1|C<3>,2|H<1>}	119.9390	0.000	1	119.9390	0.000	1	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	123.2230	0.000	1	123.2230	0.000	1	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NO){1|C<3>,2|H<1>}	120.3660	0.000	1	120.3660	0.000	1	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NN)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NN){1|C<3>,2|H<1>}	121.2553	0.404	4	121.2553	0.163	4	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NO){1|C<3>,2|H<1>}	119.8070	0.000	1	119.8070	0.000	1	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NC){1|C<3>,2|H<1>}	121.2020	0.000	1	121.2020	0.000	1	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NC[6a]){1|C<3>,2|H<1>}	121.1665	0.172	2	121.1665	0.030	2	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2(NN){1|H<1>,2|C<3>}	120.7833	0.192	3	120.7833	0.037	3	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|C<3>,2|H<1>}	121.1440	0.000	1	121.1440	0.000	1	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(NN)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NN){1|C<3>,2|H<1>}	122.6664	0.417	5	122.6664	0.174	5	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|Pd<4>,1|C<3>,1|H<1>}	119.8345	0.322	2	119.8345	0.104	2	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|C<3>,2|H<1>}	120.6250	0.000	1	120.6250	0.000	1	121.3232	1.241	26	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){2|C<3>,2|H<1>}	121.6530	0.000	1	121.6530	0.000	1	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OP){1|C<3>,2|H<1>}	118.5470	0.000	1	118.5470	0.000	1	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>}	117.8920	0.000	1	119.0712	0.242	14	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|O<1>}	119.1619	0.370	13	119.0712	0.242	14	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|O<1>}	119.1484	0.382	7	119.1484	0.146	7	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OP)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)2(OP){1|C<3>,1|H<1>}	118.9320	0.000	1	118.9320	0.000	1	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|O<1>}	121.3550	0.000	1	121.3550	0.000	1	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|O<1>}	119.4913	0.194	4	119.4913	0.037	4	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|H<1>,2|C<3>}	121.3233	0.224	3	121.3233	0.050	3	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OP)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OP){1|C<3>,2|H<1>}	120.0000	0.000	1	120.0000	0.000	1	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	120.3128	0.362	9	120.3128	0.131	9	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	120.1620	0.279	3	120.0228	0.130	4	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	119.6050	0.000	1	120.0228	0.130	4	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|C<3>,2|H<1>}	119.0275	0.402	2	119.0275	0.162	2	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|C<3>,2|H<1>}	120.0289	0.419	18	120.0289	0.176	18	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(OH){1|C<3>,2|H<1>}	120.0373	1.008	4	120.0373	1.016	4	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(OSn)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(OSn){1|C<3>,2|H<1>}	120.2330	0.000	1	120.2330	0.000	1	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(OMo)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(OMo){1|C<3>,2|H<1>}	118.9900	0.235	2	118.9900	0.055	2	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[4])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[4])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>}	119.6300	0.000	1	119.6300	0.000	1	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Ir<8>,1|C<3>,1|H<1>}	119.1960	0.744	2	119.1960	0.553	2	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Ir<6>,1|C<3>,1|H<1>}	118.2300	0.000	1	118.2300	0.000	1	119.7345	0.628	77	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SRe)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SRe){1|C<3>,2|H<1>}	119.7345	0.090	2	119.7345	0.008	2	120.8145	0.396	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(SC[6a])	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC[6a]){1|C<3>,2|H<1>}	121.0795	0.376	4	121.0795	0.141	4	120.8145	0.396	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(SC)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(SC){1|C<3>,2|H<1>}	121.2020	0.000	1	121.2020	0.000	1	120.8145	0.396	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(SNi)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(SNi){1|C<3>,2|H<1>}	120.7710	0.314	2	120.7710	0.099	2	120.8145	0.396	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(SPd)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(SPd){1|C<3>,2|H<1>}	120.7845	0.559	2	120.7845	0.313	2	120.8145	0.396	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(SPt)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(SPt){1|C<3>,2|H<1>}	121.6740	0.000	1	121.6740	0.000	1	120.8145	0.396	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	120.8480	0.107	2	120.8480	0.012	2	120.3067	0.101	15	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NN){1|C<3>,2|H<1>}	120.5420	0.000	1	120.5420	0.000	1	120.3067	0.101	15	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	120.0973	0.192	7	120.0973	0.037	7	120.3067	0.101	15	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	120.3362	0.239	5	120.3362	0.057	5	120.3067	0.101	15	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|C<3>,2|H<1>}	118.6110	0.000	1	118.6110	0.000	1	118.6110	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|Os<9>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	119.0820	0.224	3	119.0820	0.050	3	119.4875	0.820	13	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NH){1|C<3>,2|H<1>}	120.0405	0.325	2	120.0405	0.105	2	119.4875	0.820	13	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<8>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	119.2990	0.000	1	119.2990	0.000	1	119.4875	0.820	13	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|Fe<6>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	119.3970	0.127	2	119.3970	0.016	2	119.4875	0.820	13	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|Os<9>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	118.4270	0.503	2	118.4270	0.253	2	119.4875	0.820	13	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<9>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	118.8010	0.000	1	118.8010	0.000	1	119.4875	0.820	13	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[5a]){1|C<3>,2|H<1>}	121.1315	0.291	2	121.1315	0.084	2	119.4875	0.820	13	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(SNi)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Cl<1>,1|Ni<6>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(SNi){1|C<3>,2|H<1>}	120.1197	0.362	6	120.1197	0.131	6	120.1197	0.131	6	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	P[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]P[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](P[6]C[6]Cu)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]P[6]O)(H){1|Cu<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|P<3>}	C[6](P[6]C[6]Cu)(C[6]C[6]H)(OH){1|C<3>,2|H<1>}	123.7740	0.000	1	123.7740	0.000	1	123.7740	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NC){1|C<3>,1|H<1>,1|O<1>}	122.9860	0.000	1	122.9860	0.000	1	122.9860	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|O<1>}	120.8982	0.260	13	120.8314	0.125	14	120.8921	0.269	27	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|O<1>,1|O<2>}	119.9630	0.000	1	120.8314	0.125	14	120.8921	0.269	27	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|O<1>}	121.2796	0.571	7	121.2796	0.326	7	120.8921	0.269	27	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|O<1>}	119.4880	0.000	1	119.4880	0.000	1	120.8921	0.269	27	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|O<1>}	120.7320	0.268	4	120.7320	0.072	4	120.8921	0.269	27	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)2(H){1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	121.0750	0.000	1	121.0750	0.000	1	120.8921	0.269	27	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	120.1070	0.353	4	120.1070	0.125	4	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.6395	0.023	2	118.6395	0.001	2	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(CC){1|N<3>,2|H<1>}	120.0346	0.418	11	120.0346	0.174	11	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	119.4113	0.602	11	119.5917	0.787	13	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	120.5840	1.868	2	119.5917	0.787	13	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	119.0474	2.039	60	119.0368	3.912	64	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.8775	0.604	4	119.0368	3.912	64	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>}	C[6](C[6]C[6]H)2(CC){1|H<1>,1|N<3>}	119.4530	0.000	1	119.4593	0.152	11	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	119.4599	0.411	10	119.4593	0.152	11	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.3030	0.678	22	118.3030	0.460	22	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	120.7365	0.047	2	120.7365	0.002	2	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	119.8300	0.058	2	119.8300	0.003	2	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|V<11>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]V)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	119.0240	0.093	2	119.0240	0.009	2	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	119.7550	0.596	6	119.7550	0.355	6	119.1767	2.261	139	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NC){1|N<3>,2|H<1>}	121.1080	0.234	4	121.1080	0.055	4	120.2259	1.173	58	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NH){1|N<3>,2|H<1>}	120.5915	0.107	2	120.5915	0.011	2	120.2259	1.173	58	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	121.1460	0.718	6	121.1460	0.516	6	120.2259	1.173	58	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NS)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NS){1|N<3>,2|H<1>}	120.9070	0.000	1	120.9070	0.000	1	120.2259	1.173	58	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	119.9599	1.740	12	119.9599	3.028	12	120.2259	1.173	58	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NS)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NS){1|N<3>,2|H<1>}	120.2040	0.782	19	120.2040	0.611	19	120.2259	1.173	58	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	119.5376	0.523	12	119.5376	0.274	12	120.2259	1.173	58	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|V<11>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]V)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	120.9305	0.562	2	120.9305	0.316	2	120.2259	1.173	58	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	122.7760	0.263	2	122.7760	0.069	2	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|H<1>}	119.4800	0.076	2	119.4800	0.006	2	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(OMn)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OMn){1|N<3>,2|H<1>}	121.1505	0.429	2	121.1505	0.184	2	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|N<3>,2|H<1>}	119.1535	0.569	2	119.1535	0.324	2	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|N<3>,2|H<1>}	119.2520	0.000	1	119.2520	0.000	1	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	118.4750	0.498	21	118.4750	0.248	21	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OCo)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OCo){1|N<3>,2|H<1>}	120.1345	0.254	2	120.1345	0.064	2	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OCu)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OCu){1|N<3>,2|H<1>}	120.7235	0.548	2	120.7235	0.300	2	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|H<1>}	118.9538	0.695	22	118.9538	0.483	22	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	120.0340	0.898	4	119.7992	0.795	6	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	119.3295	0.945	2	119.7992	0.795	6	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	119.8661	0.752	8	119.9845	0.551	11	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	120.3000	0.754	3	119.9845	0.551	11	119.3106	1.190	73	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	119.0967	0.103	3	119.0967	0.011	3	119.3876	1.143	45	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC[5])	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC[5]){1|N<3>,2|H<1>}	118.8590	0.018	2	118.8590	0.000	2	119.3876	1.143	45	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC[6])	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC[6]){1|N<3>,2|H<1>}	118.4496	0.656	8	118.4496	0.431	8	119.3876	1.143	45	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SCu)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SCu){1|N<3>,2|H<1>}	121.0204	0.365	8	121.0204	0.133	8	119.3876	1.143	45	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SIr)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SIr){1|N<3>,2|H<1>}	120.6070	0.660	2	120.6070	0.436	2	119.3876	1.143	45	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SS)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SS){1|N<3>,2|H<1>}	118.8855	0.620	18	118.8855	0.384	18	119.3876	1.143	45	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SW)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SW){1|N<3>,2|H<1>}	120.0930	0.501	2	120.0930	0.251	2	119.3876	1.143	45	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(SC[6a])	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC[6a]){1|N<3>,2|H<1>}	120.1685	0.426	2	120.1685	0.182	2	119.3876	1.143	45	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]N[5,6]H)(C[6]C[6]O)(H)	C[6](N[5,6]C[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)	C[6](C[6]N[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6,6]C[5,6])(C[6]C[6]H)(H){1|C<3>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|N<3>}	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CN){1|C<4>,1|H<1>,1|N<3>}	117.7350	0.000	1	118.1676	0.083	5	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.2758	0.181	4	118.1676	0.083	5	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	119.2670	0.325	2	119.4129	0.135	9	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	119.4546	0.391	7	119.4129	0.135	9	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.4211	0.357	8	118.4705	0.112	10	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.6680	0.132	2	118.4705	0.112	10	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.3470	0.375	10	118.3470	0.140	10	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.7440	0.593	2	118.7440	0.351	2	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	118.9550	0.000	1	118.9550	0.000	1	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	118.8565	0.037	2	118.8565	0.001	2	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.2695	0.378	12	118.3028	0.145	13	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	118.7030	0.000	1	118.3028	0.145	13	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.3503	0.339	6	118.3503	0.115	6	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	119.6543	0.932	9	119.6543	0.868	9	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.5274	0.424	10	118.5274	0.180	10	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.5645	0.049	2	118.6158	0.121	12	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.6261	0.384	10	118.6158	0.121	12	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	119.4860	0.904	2	120.0413	0.491	16	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	120.1206	0.671	14	120.0413	0.491	16	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.1598	0.175	4	118.1120	0.018	9	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	118.0738	0.089	5	118.1120	0.018	9	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	119.1981	1.016	12	119.1981	1.032	12	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.5540	0.313	2	118.5540	0.098	2	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	119.2215	1.439	2	119.2215	2.071	2	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.9000	0.283	2	119.2371	0.177	7	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	119.7590	0.000	1	119.2371	0.177	7	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	119.2752	0.397	4	119.2371	0.177	7	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Tc)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Tc)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	117.6970	0.187	2	117.6970	0.035	2	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	118.3697	0.213	3	118.3697	0.045	3	118.8467	0.670	142	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NH){1|N<3>,2|H<1>}	120.0195	0.193	2	120.0195	0.037	2	118.8811	0.860	33	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2(NN){1|C<3>,1|H<1>,1|N<3>}	118.1420	0.560	2	118.1420	0.314	2	118.8811	0.860	33	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	117.7820	0.000	1	117.7820	0.000	1	118.8811	0.860	33	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	119.0238	0.808	14	118.9315	0.629	16	118.8811	0.860	33	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	118.2855	0.084	2	118.9315	0.629	16	118.8811	0.860	33	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	118.4855	0.040	2	118.4855	0.002	2	118.8811	0.860	33	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	119.6788	1.679	4	118.9096	1.387	10	118.8811	0.860	33	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	118.3968	0.128	6	118.9096	1.387	10	118.8811	0.860	33	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	119.1380	0.829	2	119.1380	0.687	2	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[4x3,4x5,4x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,4|B<6>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	119.0992	0.548	4	119.0992	0.301	4	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	C[6](N[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,5|B<6>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	119.0075	0.445	4	119.0075	0.198	4	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	119.8480	0.714	2	119.8480	0.510	2	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<6>,1|H<1>}	C[6](N[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,5|B<6>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	119.5570	0.202	4	119.5570	0.041	4	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	118.9320	0.757	2	118.9320	0.572	2	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	119.1300	0.194	2	119.1300	0.038	2	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|N<3>}	118.1655	0.484	2	118.1344	0.224	8	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.3485	0.289	4	118.1344	0.224	8	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|N<3>}	117.6750	0.689	2	118.1344	0.224	8	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	118.9850	1.095	2	118.9850	1.198	2	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|N<3>}	118.3620	0.912	2	118.3480	0.408	6	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	118.3410	0.635	4	118.3480	0.408	6	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|H<1>}	120.2285	0.390	2	120.2285	0.152	2	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|H<1>,2|N<3>}	119.1220	0.000	1	118.3502	0.239	15	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.2348	0.301	12	118.3502	0.239	15	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.6565	1.187	2	118.3502	0.239	15	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	119.2600	0.346	2	119.2600	0.120	2	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	117.7600	0.613	4	117.7600	0.375	4	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	118.5800	0.093	2	118.5800	0.009	2	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.0387	1.452	23	118.0387	2.109	23	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	119.3312	0.517	6	119.2814	0.186	9	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|H<1>,2|N<3>}	119.1820	0.236	3	119.2814	0.186	9	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	119.2351	1.022	8	119.0699	0.748	16	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	118.8757	0.310	4	119.0699	0.748	16	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.9338	1.029	4	119.0699	0.748	16	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	118.7502	0.865	4	118.7422	0.582	16	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.7396	0.768	12	118.7422	0.582	16	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|H<1>}	119.3275	0.194	4	119.3275	0.038	4	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.8835	1.382	2	118.8835	1.911	2	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	118.8922	0.898	20	118.9848	0.487	37	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	118.7865	0.750	2	118.9848	0.487	37	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.9992	0.255	5	118.9848	0.487	37	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	119.2022	0.272	10	118.9848	0.487	37	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	119.4630	0.000	1	119.2307	0.181	3	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	119.1145	0.531	2	119.2307	0.181	3	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	117.8842	0.411	4	118.2544	0.243	10	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.5012	0.392	6	118.2544	0.243	10	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|H<1>}	119.8855	0.042	2	119.8855	0.002	2	118.7500	0.823	183	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC[6a])	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC[6a]){1|N<3>,2|H<1>}	118.8920	0.395	2	118.8920	0.156	2	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	119.2679	0.189	10	119.2679	0.036	10	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	118.9470	0.392	2	118.9470	0.153	2	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC[6a])	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC[6a]){1|N<3>,2|H<1>}	118.9797	0.365	4	118.9797	0.133	4	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	119.1210	0.647	4	119.1210	0.418	4	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	119.7060	3.460	4	119.7060	11.970	4	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SIr)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SIr){1|N<3>,2|H<1>}	120.3367	2.015	10	120.3367	4.060	10	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SS)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SS){1|N<3>,2|H<1>}	119.1225	0.333	2	119.1225	0.111	2	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SS)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SS){1|N<3>,2|H<1>}	119.0250	0.379	4	119.0250	0.144	4	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	119.2823	0.223	4	119.2823	0.050	4	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SPd)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SPd){1|N<3>,2|H<1>}	120.6075	0.057	2	120.6075	0.003	2	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SS)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SS){1|N<3>,2|H<1>}	118.8132	0.604	4	118.8132	0.365	4	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|S<2>,2|C<3>}	C[6](C[6]C[6]H)2(SC){1|C<3>,1|H<1>,1|N<3>}	118.5970	0.000	1	118.5970	0.000	1	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SS)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SS){1|N<3>,2|H<1>}	119.4790	0.644	11	119.4790	0.414	11	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	119.5337	0.687	4	119.5337	0.471	4	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC[6a])	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(SC[6a]){1|N<3>,2|H<1>}	119.1650	0.027	2	119.1650	0.001	2	119.4318	1.438	70	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Se-2:	C[6](C[6]C[6]Se)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SeSe)	C[6](C[6]C[6]Se)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|Se<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(SeSe){1|N<3>,2|H<1>}	118.6502	0.716	4	118.6502	0.513	4	118.6502	0.513	4	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]I)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(I){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]I)(OH){1|O<1>,2|C<3>}	121.9970	0.000	1	121.9970	0.000	1	121.9266	0.283	8	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:I-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(I)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]I)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(I){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]I)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]I)(OH){1|O<1>,2|C<3>}	121.9166	0.574	7	121.9166	0.329	7	121.9266	0.283	8	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:I-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]H)(I)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(CC){1|N<3>,2|H<1>}	119.3801	0.498	11	119.3801	0.248	11	119.3801	0.248	11	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O)	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]O)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O){1|H<1>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6])(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	115.4010	0.000	1	115.4010	0.000	1	115.4010	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(OH)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6]C[5,5,6]C[5,6])(C[6]C[6]O)(H){1|N<2>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|N<2>}	119.6370	0.000	1	119.6370	0.000	1	117.5750	8.504	2	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6,6]O[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,2|C<4>}	115.5130	0.000	1	115.5130	0.000	1	117.5750	8.504	2	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH){1|H<1>,2|C<3>}	118.1070	0.000	1	118.1070	0.000	1	116.4510	0.580	10	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,2|C<4>}	116.5550	0.000	1	116.6664	0.056	5	116.4510	0.580	10	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,2|C<4>}	116.6943	0.263	4	116.6664	0.056	5	116.4510	0.580	10	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	115.7678	0.228	4	115.7678	0.052	4	116.4510	0.580	10	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(OC){1|O<1>,2|C<3>}	117.5040	0.045	2	117.5040	0.002	2	117.5040	0.002	2	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Br<1>,1|C<3>,1|O<1>}	116.8348	0.718	12	116.8348	0.516	12	116.8348	0.516	12	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Br<1>,2|C<3>}	114.2900	0.000	1	114.2900	0.000	1	116.6520	4.185	3	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(OC){1|Br<1>,1|C<3>,1|O<1>}	117.8330	0.023	2	117.8330	0.001	2	116.6520	4.185	3	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(CN){1|Cl<1>,1|C<3>,1|O<1>}	117.4880	0.000	1	117.4880	0.000	1	117.4880	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]Cl)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)(C[6]C[6]O)(NN)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NN){2|Cl<1>,1|C<3>}	117.0470	0.000	1	117.0470	0.000	1	117.0470	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH){2|Cl<1>,1|C<3>}	118.2170	0.000	1	118.2170	0.000	1	118.2170	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|H<1>,1|O<1>}	117.3000	0.000	1	117.3000	0.000	1	117.3000	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NO){1|C<3>,2|H<1>}	118.0130	0.000	1	118.0130	0.000	1	118.0130	0.000	1	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(OC){1|C<3>,1|H<1>,1|O<1>}	118.6045	0.049	2	118.6045	0.002	2	118.1827	0.535	3	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	117.3390	0.000	1	117.3390	0.000	1	118.1827	0.535	3	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)2(CN){1|C<3>,1|O<1>,1|O<2>}	117.7860	0.000	1	117.6490	0.038	2	117.6490	0.038	2	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(CN){1|C<3>,2|O<1>}	117.5120	0.000	1	117.6490	0.038	2	117.6490	0.038	2	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]O)2(O){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(OC){1|C<3>,2|O<1>}	119.4805	0.612	2	119.4805	0.374	2	119.4805	0.374	2	119.3739	1.904	1129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCC)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCC){1|O<1>,2|C<3>}	122.0560	0.508	2	122.0560	0.258	2	123.1187	1.588	12	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	123.9168	1.080	6	123.9168	1.165	6	123.1187	1.588	12	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	123.0110	0.000	1	122.0363	0.721	3	123.1187	1.588	12	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	121.5490	0.133	2	122.0363	0.721	3	123.1187	1.588	12	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NHH){1|O<1>,2|C<3>}	123.7020	0.000	1	123.7020	0.000	1	123.1187	1.588	12	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	120.4300	0.000	1	120.4300	0.000	1	120.4300	0.000	1	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCC)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCC){1|O<1>,2|C<3>}	122.4130	0.858	2	122.4130	0.737	2	123.1955	0.429	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	123.2224	0.490	8	123.2224	0.240	8	123.1955	0.429	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[5a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[5a]H){1|O<1>,2|C<3>}	123.0970	0.000	1	123.0970	0.000	1	123.1955	0.429	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H){1|O<1>,2|C<3>}	124.2890	0.000	1	124.2890	0.000	1	123.1955	0.429	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C){1|O<1>,2|C<3>}	122.8010	0.000	1	122.8010	0.000	1	123.1955	0.429	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H){1|O<1>,2|C<3>}	123.9450	0.000	1	123.9450	0.000	1	123.1955	0.429	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]Cl)2(CHN){1|C<3>,2|H<1>}	123.7610	0.608	4	123.7610	0.370	4	123.7610	0.370	4	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	120.8100	0.000	1	120.8100	0.000	1	120.8100	0.000	1	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)(N[6]C[6]O)(H)	C[6](C[6]C[6]F)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]F)2(NOO){1|N<3>,2|H<1>}	122.0085	0.134	2	122.0085	0.018	2	122.0085	0.018	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[3x6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H){1|Mn<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[3x6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	118.9940	0.380	3	119.4218	0.418	5	119.8052	1.870	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[3x6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H){1|Mn<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[3x6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	120.0635	0.108	2	119.4218	0.418	5	119.8052	1.870	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[3x6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[3x6]H)(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[3x6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	120.1886	1.850	5	120.1886	3.423	5	119.8052	1.870	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[5,6]H)(C[6]C[6]B)(H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[5,6]H)(C[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<3>,1|B<4>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(BC[6a]2){1|B<4>,1|C<3>,1|H<1>}	121.2395	0.889	2	121.2395	0.790	2	121.2395	0.790	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]H)(H){1|Nb<6>,1|P<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|P<4>}	122.3040	0.000	1	122.3040	0.000	1	120.9315	3.768	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(H){1|In<6>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(COO){1|In<6>,1|C<3>,1|H<1>}	119.5590	0.000	1	119.5590	0.000	1	120.9315	3.768	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO)	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	119.6340	0.000	1	119.6340	0.000	1	118.9473	0.432	3	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO)	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	118.6040	0.396	2	118.6040	0.157	2	118.9473	0.432	3	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]H)(C[6]N[6]C)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[5,6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[5,6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	119.3360	0.000	1	119.3360	0.000	1	119.3360	0.000	1	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	117.6280	0.000	1	117.6280	0.000	1	119.0657	1.199	4	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<6>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	119.1715	0.054	2	119.5450	0.420	3	119.0657	1.199	4	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<6>,2|C<3>,2|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	120.2920	0.000	1	119.5450	0.420	3	119.0657	1.199	4	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	120.0120	0.000	1	119.6804	0.452	7	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	118.4550	0.000	1	119.6804	0.452	7	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	119.7637	0.656	3	119.6804	0.452	7	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	120.0025	0.111	2	119.6804	0.452	7	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	118.6980	0.000	1	118.6980	0.000	1	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<3>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	118.9930	0.000	1	120.1993	0.336	20	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	120.4790	0.389	3	120.1993	0.336	20	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	120.1734	0.588	12	120.1993	0.336	20	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	120.5593	0.142	3	120.1993	0.336	20	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	119.7970	0.000	1	120.1993	0.336	20	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Rh<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	119.7820	0.048	2	119.7820	0.002	2	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	119.5750	0.000	1	119.5750	0.000	1	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ti<12>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<12>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	119.7047	0.267	4	119.7047	0.071	4	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ti<12>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<12>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	119.0540	0.000	1	119.2660	0.090	2	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ti<8>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<8>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	119.4780	0.000	1	119.2660	0.090	2	119.9172	0.391	37	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H){1|Co<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,3|N<3>}	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	120.2940	0.075	2	120.2940	0.006	2	120.0290	0.096	4	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(NCuC)	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H){1|Cu<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(NCuC){1|C<3>,1|H<1>,1|N<3>}	119.7640	0.010	2	119.7640	0.000	2	120.0290	0.096	4	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ni)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H){1|Ni<4>,1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]Ni)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	122.0185	0.152	2	121.4837	0.870	3	120.7492	1.034	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ni)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H){1|Ni<4>,1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]Ni)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.4140	0.000	1	121.4837	0.870	3	120.7492	1.034	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Pd)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H){1|Pd<4>,1|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]Pd)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	120.0147	0.311	3	120.0147	0.096	3	120.7492	1.034	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|Cl<1>,2|C<3>}	118.9980	0.000	1	118.9980	0.000	1	118.9980	0.000	1	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	121.4760	0.000	1	121.4760	0.000	1	121.8605	0.125	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	121.7917	0.089	4	121.7917	0.008	4	121.8605	0.125	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]O)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]N[6,6a]O)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	122.5200	0.000	1	122.5200	0.000	1	121.8605	0.125	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]P)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(PHH)	C[6](C[6]C[6,6a]H)(C[6]C[6]P)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,1|P<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(PHH){1|H<1>,2|C<3>}	121.6490	0.000	1	121.6490	0.000	1	121.6490	0.000	1	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]2)(N[6]C[6,6a]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a,6a]2)(N[6]C[6,6a]Cu)(C[6]C[6]H){1|H<1>,6|C<3>}	119.4465	0.053	2	119.4465	0.003	2	119.7993	0.636	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	119.6030	0.540	2	119.5217	0.166	3	119.7993	0.636	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]H)(C[6]C[6]H){2|H<1>,4|C<3>}	119.3590	0.000	1	119.5217	0.166	3	119.7993	0.636	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]O)(C[6]C[6]H){2|H<1>,4|C<3>}	121.3380	0.000	1	121.3380	0.000	1	119.7993	0.636	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cr)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Cr<6>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cr)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	118.3390	0.000	1	118.3390	0.000	1	118.6346	0.271	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cr)(C[5]N[5]O[5])(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Cr<6>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cr)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,4|C<3>}	118.4990	0.000	1	118.4990	0.000	1	118.6346	0.271	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	118.6990	0.000	1	118.6990	0.000	1	118.6346	0.271	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[5]N[5]O[5])(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,4|C<3>}	118.5415	0.319	2	118.5415	0.102	2	118.6346	0.271	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Fe<6>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	119.0490	0.000	1	119.0490	0.000	1	118.6346	0.271	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Ir<6>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	118.8100	0.000	1	118.8100	0.000	1	118.6346	0.271	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Ni<6>,2|C<3>,2|N<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ni)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	118.4000	1.307	2	118.4000	1.708	2	118.6346	0.271	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[5]N[5]S[5])(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Zn<4>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[5]N[5]S[5])(C[6]C[6]H){1|H<1>,4|C<3>}	119.0670	0.000	1	119.0670	0.000	1	118.6346	0.271	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[5a]N[5a]2)(C[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[5a]N[5a]2)(C[6]C[6]H){1|H<1>,4|C<3>}	118.8920	0.594	3	118.8920	0.353	3	119.2492	0.440	5	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[5a]N[5a]2)(C[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[5a]N[5a]2)(C[6]C[6]H){1|H<1>,4|C<3>}	120.0040	0.000	1	120.0040	0.000	1	119.2492	0.440	5	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[5a]-3:C[6]-3:	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[5a]N[5a]2)(C[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|Ir<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[5a]N[5a]2)(C[6]C[6]H){1|H<1>,4|C<3>}	119.5660	0.000	1	119.5660	0.000	1	119.2492	0.440	5	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ag<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	119.8500	1.025	2	119.8500	1.051	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ag<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.6630	0.000	1	119.6630	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	121.1489	0.199	7	121.1314	0.036	8	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	121.0090	0.000	1	121.1314	0.036	8	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	120.1080	0.000	1	120.1080	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Bi<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.2615	0.161	2	119.2615	0.026	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	120.8300	0.764	23	120.8300	0.584	23	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Br)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Br){1|H<1>,2|C<3>}	118.4490	0.000	1	118.4490	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]C)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]C){1|H<1>,2|C<3>}	123.6345	0.747	2	123.6345	0.559	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Cl)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]Cl){1|H<1>,2|C<3>}	118.9710	0.000	1	118.9710	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]H){1|H<1>,2|C<3>}	128.1560	5.323	2	128.1560	28.335	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]S)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[5]S){1|H<1>,2|C<3>}	120.4620	0.000	1	120.4620	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	119.7685	1.624	2	120.0786	0.663	8	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	120.1820	0.591	6	120.0786	0.663	8	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	118.1410	0.000	1	118.9365	0.430	4	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	119.2017	0.472	3	118.9365	0.430	4	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	122.2410	0.000	1	122.0653	0.067	3	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	121.9775	0.298	2	122.0653	0.067	3	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	119.0770	0.000	1	119.0770	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	118.0970	0.209	2	118.3837	0.129	4	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	118.6705	0.121	2	118.3837	0.129	4	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	120.9445	0.087	2	120.9445	0.008	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[5a]C)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[5a]C){1|H<1>,2|C<3>}	120.6960	0.532	2	120.6960	0.283	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	118.5745	0.790	4	118.6978	0.429	6	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	118.9445	0.303	2	118.6978	0.429	6	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	119.1265	0.523	2	119.1068	0.185	6	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	119.1657	0.544	3	119.1068	0.185	6	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	118.8910	0.000	1	119.1068	0.185	6	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.3175	0.326	2	119.3175	0.106	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	119.0775	0.370	4	119.0775	0.137	4	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	119.3327	0.776	3	119.3327	0.603	3	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	118.6635	0.210	2	118.7235	0.043	8	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	118.7435	0.221	6	118.7235	0.043	8	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|C<3>,1|H<1>,1|N<2>}	121.3950	0.000	1	121.1615	0.109	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	120.9280	0.000	1	121.1615	0.109	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	120.7958	0.388	10	120.7958	0.151	10	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CC[6a]2){1|C<3>,1|H<1>,1|N<2>}	121.0540	0.000	1	121.0540	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	120.0590	0.115	2	120.0590	0.013	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CNS)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	119.4330	0.000	1	119.4330	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.8187	1.323	16	119.8187	1.751	16	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Hg<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	119.1150	0.373	5	119.1150	0.139	5	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<2>}	119.3400	0.000	1	119.1600	0.065	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	118.9800	0.000	1	119.1600	0.065	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.3300	0.000	1	119.3300	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(CHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mg<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	121.4055	0.371	2	121.4055	0.138	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mg<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Mg)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.6060	0.000	1	119.6060	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	118.7560	0.906	24	118.7560	0.820	24	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	118.8820	0.000	1	118.8820	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	118.6907	0.259	11	118.6907	0.067	11	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	121.3355	0.285	2	121.3355	0.081	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	118.4615	0.893	6	118.4615	0.797	6	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	118.8680	0.164	4	118.8680	0.027	4	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	120.6810	0.000	1	120.6810	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Os<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	121.3030	0.000	1	121.3030	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	119.2542	1.091	4	119.2542	1.190	4	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	121.4377	0.911	3	121.4377	0.831	3	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	119.9640	0.000	1	119.9640	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.5120	0.000	1	119.5120	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CCC){1|H<1>,2|C<3>}	122.5520	1.024	2	122.5520	1.048	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.1300	0.000	1	119.1300	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	120.1260	0.827	2	120.1260	0.684	2	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	121.2020	0.000	1	121.2020	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	119.7640	0.000	1	119.0551	0.114	8	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<9>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	118.9539	0.193	7	119.0551	0.114	8	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<10>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	118.8070	0.287	6	118.8070	0.083	6	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Sn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	118.3570	0.021	2	118.6506	0.089	5	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Sn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	118.8463	0.182	3	118.6506	0.089	5	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	121.0590	0.000	1	121.0590	0.000	1	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	118.1465	1.828	6	118.1465	3.341	6	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	118.8231	0.290	21	118.8956	0.122	29	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.0859	0.435	8	118.8956	0.122	29	119.6450	2.191	260	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Co<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.3650	0.292	6	119.3650	0.085	6	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.0471	0.564	7	119.1724	0.224	16	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<5>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.1900	0.273	4	119.1724	0.224	16	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<6>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.3336	0.499	5	119.1724	0.224	16	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Fe<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.1555	0.045	2	119.7419	0.215	8	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Fe<6>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.9373	0.341	6	119.7419	0.215	8	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.2942	0.388	6	119.2902	1.333	10	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<7>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	117.3200	0.000	1	119.2902	1.333	10	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<7>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.9390	1.746	3	119.2902	1.333	10	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Mn<5>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	120.1230	0.591	2	120.0320	0.200	3	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Mn<6>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.8500	0.000	1	120.0320	0.200	3	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mo)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Mo<6>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Mo)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.9428	0.365	4	119.9428	0.134	4	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Pt<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.9853	1.064	3	119.9853	1.133	3	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Re<6>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.0880	0.516	6	119.0880	0.266	6	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ru<6>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	119.8427	1.596	6	119.7978	1.841	8	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ru<8>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.6630	0.327	2	119.7978	1.841	8	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Zn<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	119.0680	0.430	5	119.9947	2.713	7	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Zn<6>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	122.3115	0.715	2	119.9947	2.713	7	119.5279	0.847	71	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Cd<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	119.7750	0.000	1	119.3285	0.399	2	119.7192	0.714	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Cd<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	118.8820	0.000	1	119.3285	0.399	2	119.7192	0.714	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NCN)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Co<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NCN){1|H<1>,2|C<3>}	118.8952	0.366	5	118.8952	0.134	5	119.7192	0.714	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	121.0960	0.000	1	121.0960	0.000	1	119.7192	0.714	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(NBH){1|H<1>,2|C<3>}	120.4670	0.187	2	120.4670	0.035	2	119.7192	0.714	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	120.1920	0.000	1	120.1920	0.000	1	119.7192	0.714	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Ni<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(NHP){1|H<1>,2|C<3>}	119.6360	0.000	1	119.6360	0.000	1	119.7192	0.714	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	120.4200	0.000	1	120.4200	0.000	1	119.7192	0.714	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(NC[6a]2){1|H<1>,2|C<3>}	120.6580	0.000	1	120.6580	0.000	1	119.7192	0.714	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Au)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Au<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Au)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	116.5760	0.000	1	116.5760	0.000	1	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Co<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Co)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.1600	0.254	4	120.1600	0.064	4	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cr)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Cr<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cr)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	119.3310	0.000	1	120.5577	1.135	3	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cr)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Cr<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cr)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	121.1710	0.110	2	120.5577	1.135	3	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.3322	0.775	6	120.3322	0.601	6	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Fe<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.5650	0.771	4	120.5650	0.594	4	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.6642	0.222	5	120.6642	0.049	5	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Ir<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	119.6437	0.715	3	120.4734	0.581	42	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Ir<5>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	119.6690	0.190	2	120.4734	0.581	42	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Ir<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	120.6190	0.745	2	120.4734	0.581	42	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Ir<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	120.6211	0.711	32	120.4734	0.581	42	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Ir<7>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	120.5910	1.035	2	120.4734	0.581	42	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Ir<8>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	119.3170	0.000	1	120.4734	0.581	42	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Ni<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	120.6950	0.000	1	120.6950	0.000	1	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	121.9435	0.001	2	121.9435	0.000	2	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Pd<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	119.7730	0.000	1	120.4015	0.790	2	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Pd<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	121.0300	0.000	1	120.4015	0.790	2	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Pt<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	120.4270	0.107	3	120.7005	0.155	6	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Pt<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.9740	0.389	3	120.7005	0.155	6	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Re<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Re)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	119.7500	0.471	2	119.7500	0.222	2	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Ru<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	120.2800	0.251	4	120.2800	0.063	4	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Zn<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	119.7293	0.246	3	119.7293	0.061	3	120.4205	0.674	85	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[5]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(N[5]C[5]N[5])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Cu<5>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Cu)(N[5]C[5]N[5])(C[6]C[6]H){2|H<1>,4|C<3>}	118.1013	0.364	3	118.1013	0.133	3	117.7596	0.508	5	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[5]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(N[5]C[5]N[5])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Ni<6>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ni)(N[5]C[5]N[5])(C[6]C[6]H){2|H<1>,4|C<3>}	117.9150	0.000	1	117.9150	0.000	1	117.7596	0.508	5	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[5]-3:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(N[5]C[5]N[5])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Ru<9>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](N[6]C[6,6a]Ru)(N[5]C[5]N[5])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	116.5790	0.000	1	116.5790	0.000	1	117.7596	0.508	5	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	120.6792	0.478	5	120.6792	0.229	5	122.1527	1.100	30	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NHH){1|O<1>,2|C<3>}	123.4900	0.000	1	123.4900	0.000	1	122.1527	1.100	30	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC){1|O<1>,2|C<3>}	122.4960	1.015	4	122.4960	1.030	4	122.1527	1.100	30	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	122.6450	0.000	1	122.1180	0.291	12	122.1527	1.100	30	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	122.3166	0.484	7	122.1180	0.291	12	122.1527	1.100	30	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	121.6343	0.399	3	122.1180	0.291	12	122.1527	1.100	30	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	121.6520	0.000	1	122.1180	0.291	12	122.1527	1.100	30	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6]H){1|O<1>,2|C<3>}	123.5940	0.000	1	123.5940	0.000	1	122.1527	1.100	30	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|O<1>,2|C<3>}	122.3670	0.191	2	122.3670	0.036	2	122.1527	1.100	30	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]Pd)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]Pd){1|O<1>,2|C<3>}	122.9577	1.790	3	122.9577	3.204	3	122.1527	1.100	30	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|N<3>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NHH){1|O<1>,2|C<3>}	122.5470	0.829	2	122.5470	0.687	2	122.1527	1.100	30	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]2){2|Br<1>,1|C<3>}	121.6795	0.101	2	121.6795	0.010	2	121.6795	0.010	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]Br)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)2(NC[6a]O)	C[6](C[6]C[6]Br)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)2(NC[6a]O){2|Br<1>,1|C<3>}	119.5155	0.467	2	119.5155	0.218	2	119.5155	0.218	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]2){2|Cl<1>,1|C<3>}	121.3948	0.410	16	121.3948	0.168	16	121.3948	0.168	16	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	119.3240	0.102	2	119.3240	0.010	2	119.3240	0.010	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	119.5345	0.301	2	119.5345	0.090	2	119.5345	0.090	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:As-3:	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(AsCl2)	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(AsCl2){1|C<3>,2|H<1>}	120.9400	0.000	1	120.9400	0.000	1	120.9400	0.000	1	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO){1|C<3>,2|H<1>}	121.3722	0.387	13	121.3722	0.150	13	121.3394	0.154	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|B<3>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2){1|Pt<4>,1|C<3>,1|H<1>}	120.9120	0.000	1	120.9120	0.000	1	121.3394	0.154	14	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>}	C[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<3>,4|B<6>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	121.7155	0.240	2	121.7155	0.057	2	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Zn<6>,1|C<3>,1|H<1>}	120.1830	0.000	1	120.1830	0.000	1	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	122.1900	0.238	2	122.1900	0.056	2	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|H<1>}	119.6500	0.000	1	119.6500	0.000	1	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	120.1020	2.144	2	120.1020	4.597	2	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	122.4640	0.000	1	122.4640	0.000	1	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6]C[6]H)2(CCO){1|C<3>,1|H<1>}	121.0040	0.000	1	121.0040	0.000	1	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	121.1685	0.170	2	121.4947	0.152	4	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	121.8210	0.016	2	121.4947	0.152	4	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNN){1|C<3>,2|H<1>}	120.6725	0.472	2	120.6725	0.222	2	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>}	120.7550	0.000	1	120.7550	0.000	1	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|P<3>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|P<3>}	121.5365	0.590	2	121.5167	1.094	6	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	121.1245	0.866	2	121.5167	1.094	6	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|P<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|P<4>}	123.2650	0.000	1	121.5167	1.094	6	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|S<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|S<4>}	120.5130	0.000	1	121.5167	1.094	6	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	121.4451	2.581	12	121.4451	6.664	12	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	120.6670	0.229	2	120.6670	0.052	2	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCO){1|C<3>,2|H<1>}	121.3210	0.021	2	121.3210	0.000	2	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]2){1|C<3>,2|H<1>}	122.1935	0.305	4	122.1935	0.093	4	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>,2|H<1>}	121.7130	0.725	2	121.7130	0.526	2	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]O){1|C<3>,2|H<1>}	121.1800	0.010	2	121.1800	0.000	2	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>}	120.8140	0.000	1	120.7370	0.124	5	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|C<3>,2|H<1>}	120.7177	0.404	4	120.7370	0.124	5	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHO){1|C<3>,2|H<1>}	115.6320	2.359	2	115.6320	5.564	2	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|I<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNN){1|C<3>,1|H<1>,1|I<1>}	119.4830	0.000	2	120.0721	0.187	7	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(CNN){1|C<3>,1|H<1>,1|N<3>}	120.3078	0.195	5	120.0721	0.187	7	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|C<3>,2|H<1>}	121.1245	0.088	6	121.1245	0.008	6	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	121.1020	0.079	2	121.5071	0.242	20	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	121.3580	0.156	2	121.5071	0.242	20	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	121.5764	0.524	16	121.5071	0.242	20	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Pd<4>,1|C<3>,1|H<1>}	120.2800	0.970	2	120.2800	0.941	2	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Re<6>,1|C<3>,1|H<1>}	119.8820	0.324	2	119.8820	0.105	2	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	119.7600	0.286	4	119.9277	0.176	9	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	119.8315	0.005	2	119.9277	0.176	9	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ru<6>,1|C<3>,1|H<1>}	120.2153	0.627	3	119.9277	0.176	9	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	119.8282	0.605	4	119.0892	0.488	48	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	119.1207	0.352	6	119.0892	0.488	48	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ir<6>,1|C<3>,1|H<1>}	119.1275	0.373	2	119.0892	0.488	48	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mo<6>,1|C<3>,1|H<1>}	119.3475	0.342	2	119.0892	0.488	48	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	119.5097	0.155	3	119.0892	0.488	48	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>,1|H<1>}	119.2565	0.478	4	119.0892	0.488	48	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<4>,1|C<3>,1|H<1>}	118.9794	1.679	5	119.0892	0.488	48	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<6>,1|C<3>,1|H<1>}	118.9840	0.390	7	119.0892	0.488	48	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Rh<8>,1|C<3>,1|H<1>}	118.2220	0.537	4	119.0892	0.488	48	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ru<6>,1|C<3>,1|H<1>}	119.0059	0.316	11	119.0892	0.488	48	120.3559	2.325	148	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	123.0710	1.047	2	123.0710	1.095	2	123.2033	0.236	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	123.2695	0.106	4	123.2695	0.011	4	123.2033	0.236	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]Ti)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|P<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]Ti){1|C<3>,2|H<1>}	121.1030	0.000	1	121.1030	0.000	1	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|O<1>}	120.2755	0.418	4	120.2755	0.175	4	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ag<5>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NC[6a]2){1|Ag<5>,1|C<3>,2|H<1>}	120.4600	0.000	1	120.4600	0.000	1	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NZnC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NZnC){1|C<3>,2|H<1>}	119.5415	0.271	2	119.5415	0.073	2	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|H<1>}	122.2240	0.000	1	122.2240	0.000	1	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>,1|O<1>}	121.4620	0.000	1	121.4620	0.000	1	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>}	119.0650	0.000	1	118.0537	1.820	3	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>}	118.5740	0.000	1	118.0537	1.820	3	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|O<1>}	116.5220	0.000	1	118.0537	1.820	3	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	119.3370	0.000	1	119.3370	0.000	1	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NC[6a]S)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)2(NC[6a]S){1|C<3>,1|H<1>,1|O<2>}	122.0280	0.000	1	122.0280	0.000	1	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	119.4827	0.264	3	119.5259	0.294	109	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,2|H<1>}	119.3881	0.551	64	119.5259	0.294	109	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	119.4511	0.341	16	119.5259	0.294	109	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NOO){1|H<1>,2|C<3>}	119.9161	0.467	26	119.5259	0.294	109	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	119.4170	0.000	1	119.4170	0.000	1	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	120.1395	0.789	22	120.1395	0.623	22	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	120.5743	0.680	35	120.5743	0.463	35	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH){1|C<3>,2|H<1>}	121.4026	0.278	17	121.4026	0.077	17	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	120.6105	0.722	18	120.6105	0.522	18	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	120.9880	0.000	1	120.9880	0.000	1	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	121.2807	0.600	3	121.2807	0.360	3	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|C<3>,2|H<1>}	118.7503	0.553	6	118.7503	0.305	6	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,2|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pt<4>,1|C<3>,1|H<1>}	119.9940	0.000	1	119.3803	0.146	6	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,2|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pt<6>,1|C<3>,1|H<1>}	119.2576	0.264	5	119.3803	0.146	6	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,2|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<6>,1|C<3>,1|H<1>}	119.6800	0.264	2	119.4610	0.592	11	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<5>,1|C<3>,1|H<1>}	118.9690	0.000	1	119.4610	0.592	11	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,2|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	119.0158	0.335	6	119.4610	0.592	11	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	120.8235	0.216	2	119.4610	0.592	11	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	119.7810	0.078	2	120.6220	0.946	4	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	121.4630	0.044	2	120.6220	0.946	4	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Ir<6>,1|C<3>,1|H<1>}	117.0930	0.703	2	117.5845	0.621	4	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Pt<4>,1|C<3>,1|H<1>}	118.0760	0.634	2	117.5845	0.621	4	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Pd<4>,1|C<3>,1|H<1>}	118.3260	0.000	1	118.3260	0.000	1	119.9428	0.945	253	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-3:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SNO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(SNO){1|C<3>,2|H<1>}	119.4800	0.206	2	119.4800	0.043	2	119.4800	0.043	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	119.0760	0.000	1	119.0760	0.000	1	119.0760	0.000	1	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	119.9015	0.326	2	119.9015	0.106	2	119.8391	0.141	8	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	119.7240	0.551	3	119.7240	0.303	3	119.8391	0.141	8	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<6>,1|N<3>,2|C<3>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>,1|N<3>,4|B<6>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	119.8690	0.000	1	119.9127	0.104	3	119.8391	0.141	8	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<6>,1|N<3>,2|C<3>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,4|B<6>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	119.9345	0.453	2	119.9127	0.104	3	119.8391	0.141	8	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	120.0540	0.219	3	120.0540	0.048	3	119.9846	0.071	5	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	119.8805	0.390	2	119.8805	0.152	2	119.9846	0.071	5	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	122.4135	0.097	2	122.4135	0.009	2	122.4135	0.009	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	121.1460	0.000	1	121.1460	0.000	1	120.3564	0.263	5	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	120.1590	0.301	4	120.1590	0.091	4	120.3564	0.263	5	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,2|C<3>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	119.3560	0.000	1	119.3560	0.000	1	119.3560	0.000	1	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	118.4332	0.749	10	118.4332	0.561	10	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.9865	0.210	4	118.9865	0.044	4	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	119.1607	0.484	3	119.1607	0.234	3	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	119.1640	0.000	1	118.8683	0.053	6	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.8092	0.201	5	118.8683	0.053	6	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	118.5190	0.000	1	118.5190	0.000	1	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	119.2800	0.000	1	118.5866	0.215	5	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.4133	0.294	4	118.5866	0.215	5	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	119.1265	0.957	2	119.0302	0.243	5	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	118.9660	0.113	3	119.0302	0.243	5	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.6320	0.262	2	118.6320	0.068	2	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	118.5447	0.124	3	118.5447	0.015	3	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.5720	0.277	2	118.5720	0.077	2	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	118.5217	0.137	3	118.5217	0.019	3	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	119.0413	0.501	8	119.0413	0.251	8	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	119.5980	0.000	1	119.5980	0.000	1	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.9610	0.000	1	118.9610	0.000	1	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	120.5570	0.000	1	120.5570	0.000	1	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.8890	0.156	2	119.2561	0.887	14	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.7905	0.080	2	119.2561	0.887	14	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.9170	0.608	2	119.2561	0.887	14	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	119.2730	0.370	5	119.2561	0.887	14	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	122.3080	0.000	1	119.2561	0.887	14	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.8595	0.124	2	119.2561	0.887	14	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	119.0970	0.000	1	119.0970	0.000	1	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	119.9728	0.563	6	119.9728	0.317	6	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	119.5880	0.292	3	119.5880	0.085	3	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	119.9660	0.000	1	119.9660	0.000	1	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.9773	0.312	3	118.9773	0.097	3	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	119.5070	0.204	2	119.5070	0.041	2	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.9465	0.438	2	118.9465	0.192	2	119.0312	0.485	87	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	119.6640	0.000	1	119.6640	0.000	1	119.6640	0.000	1	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCO)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	118.1803	0.316	4	118.1803	0.100	4	118.0596	0.148	5	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](N[6]N[6]Re)(C[6]C[6]H)(NCN)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|N<2>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|C<3>,2|N<3>}	C[6](N[6]N[6]Re)(C[6]C[6]H)(NCN){1|C<3>,1|H<1>}	117.5770	0.000	1	117.5770	0.000	1	118.0596	0.148	5	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNN){1|C<3>,1|H<1>,1|I<1>}	119.6380	0.000	2	119.6380	0.000	2	119.6380	0.000	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|O<1>}	122.7073	0.339	4	122.7073	0.115	4	122.2727	0.772	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>,1|O<1>}	120.6140	0.000	1	120.6140	0.000	1	122.2727	0.772	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|O<1>}	122.1930	0.000	1	122.1930	0.000	1	122.2727	0.772	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|Cl<1>,1|H<1>,1|N<3>}	118.7200	0.000	1	118.2203	0.219	3	118.2203	0.219	3	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){2|Cl<1>,1|N<3>}	117.9705	0.254	2	118.2203	0.219	3	118.2203	0.219	3	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|N<3>,2|H<1>}	120.1550	0.396	4	120.1550	0.157	4	120.1550	0.157	4	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{3|N<3>,4|H<1>}	119.8248	0.589	6	119.8248	0.347	6	119.8248	0.347	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BOO)	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(BOO){1|N<3>,2|H<1>}	120.5673	0.439	35	120.5673	0.192	35	120.5673	0.192	35	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	120.6816	0.803	8	120.6816	0.646	8	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.8317	0.970	236	120.8317	0.941	236	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[5]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[5]2){1|N<3>,2|H<1>}	120.1833	0.609	4	120.1833	0.371	4	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[5a]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	120.3200	0.702	8	120.3200	0.493	8	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	119.1985	0.023	2	119.1985	0.001	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	120.2143	0.210	19	120.2143	0.044	19	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.8476	0.545	14	119.7372	0.296	18	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.3510	0.368	4	119.7372	0.296	18	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	119.6630	0.305	2	119.6630	0.093	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	120.1224	0.683	27	120.0533	0.500	29	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.1205	0.028	2	120.0533	0.500	29	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.0553	0.146	4	119.0553	0.021	4	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CBrC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CBrC){1|N<3>,2|H<1>}	120.0685	0.479	2	120.0685	0.229	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	120.5900	0.352	2	120.5900	0.124	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.0668	0.606	281	120.0668	0.367	281	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	119.7147	0.431	24	119.7147	0.186	24	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCS){1|N<3>,2|H<1>}	120.3657	1.112	4	120.3657	1.236	4	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[5a]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	118.9480	0.587	2	118.9480	0.344	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6]H){1|N<3>,2|H<1>}	120.3780	0.438	6	120.3780	0.192	6	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	119.7050	0.293	2	119.7050	0.086	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CClO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CClO){1|N<3>,2|H<1>}	118.6705	0.090	2	118.6705	0.008	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	119.5343	0.507	26	119.5343	0.257	26	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	118.6100	0.031	2	118.6100	0.001	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.3407	0.498	135	119.3407	0.248	135	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	119.4540	0.228	4	119.4540	0.052	4	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CN[6]O){1|N<3>,2|H<1>}	119.9905	1.060	2	119.9905	1.124	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.0059	1.424	92	119.0011	2.007	93	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|P<4>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|H<1>,1|N<3>,1|P<4>}	118.5530	0.000	1	119.0011	2.007	93	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CPP)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CPP){1|N<3>,2|H<1>}	121.5300	0.494	2	121.5300	0.244	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	121.0697	0.409	8	120.9816	0.130	12	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.8053	0.148	4	120.9816	0.130	12	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]N){1|N<3>,2|H<1>}	121.0040	0.296	2	121.0040	0.087	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	120.6260	0.214	2	120.6260	0.046	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	120.5930	0.393	2	120.5930	0.155	2	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	120.0200	0.000	1	120.3878	0.087	82	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	120.3924	0.294	81	120.3878	0.087	82	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.6374	1.037	8	120.6374	1.075	8	120.0668	0.959	1027	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.4825	0.101	2	120.4825	0.010	2	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.4975	0.522	6	120.3365	0.101	40	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.3081	0.269	34	120.3365	0.101	40	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	120.8970	0.468	3	120.8970	0.219	3	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC){1|N<3>,2|H<1>}	120.2010	0.000	1	120.2010	0.000	1	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	120.8820	0.201	2	120.8820	0.040	2	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.8564	0.419	16	120.8573	0.178	44	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.8578	0.432	28	120.8573	0.178	44	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	119.7522	0.517	20	119.7522	0.268	20	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NCN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCN){1|N<3>,2|H<1>}	119.2975	0.462	2	119.2975	0.213	2	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NC[6a]H){1|N<3>,2|H<1>}	119.8600	0.214	3	119.8600	0.046	3	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NCoC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCoC){1|N<3>,2|H<1>}	121.0895	0.514	4	121.0895	0.264	4	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NFeC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NFeC){1|N<3>,2|H<1>}	121.1115	0.643	4	121.1115	0.413	4	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	120.2083	1.020	80	120.2083	1.040	80	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NHN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHN){1|N<3>,2|H<1>}	119.4645	0.728	2	119.4645	0.529	2	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NPdC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NPdC){1|N<3>,2|H<1>}	120.0660	0.049	2	120.0660	0.002	2	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(NRuC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NRuC){1|N<3>,2|H<1>}	119.8340	0.649	2	119.8340	0.421	2	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	120.3058	0.532	4	120.3058	0.283	4	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	121.8080	0.000	1	121.8080	0.000	1	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H){1|N<3>,2|H<1>}	120.3088	0.205	4	120.3088	0.042	4	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	121.9110	0.000	1	121.9110	0.000	1	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	120.7230	0.000	1	120.6379	0.187	14	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	120.7766	0.510	8	120.6379	0.187	14	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	120.3988	0.205	5	120.6379	0.187	14	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	120.5445	0.056	2	120.5445	0.003	2	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH){1|N<3>,2|H<1>}	120.8635	0.302	2	120.8635	0.091	2	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.2340	0.527	211	120.2340	0.278	211	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	119.3603	0.528	30	119.3603	0.278	30	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NC[6]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NC[6]H){1|N<3>,2|H<1>}	119.4547	0.806	46	119.4547	0.649	46	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NC[6a]H){1|N<3>,2|H<1>}	119.6560	0.610	2	119.6560	0.372	2	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	119.7617	0.712	235	119.7617	0.507	235	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHN){1|N<3>,2|H<1>}	119.0565	0.665	6	119.0565	0.442	6	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHS)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHS){1|N<3>,2|H<1>}	119.2136	0.359	14	119.2136	0.129	14	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NRuC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NRuC){1|N<3>,2|H<1>}	120.1570	0.834	2	120.1570	0.696	2	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.3405	0.351	4	120.2513	0.115	6	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<3>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0730	0.335	2	120.2513	0.115	6	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO){1|N<3>,2|H<1>}	120.0760	1.130	30	120.0760	1.278	30	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.6370	0.143	2	120.4419	0.279	10	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.3931	0.585	8	120.4419	0.279	10	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	120.7380	0.643	2	120.7380	0.414	2	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NCN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCN){1|N<3>,2|H<1>}	119.4310	0.272	4	119.4310	0.074	4	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<4>,1|H<1>,1|N<3>}	117.3590	0.000	1	118.3319	0.222	31	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|H<1>}	118.4249	0.374	17	118.3319	0.222	31	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|I<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|H<1>,1|I<1>,1|N<3>}	118.9930	0.000	2	118.3319	0.222	31	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)2(NOO){1|H<1>,2|N<3>}	117.3420	0.000	1	118.3319	0.222	31	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|Cl<1>,1|H<1>,1|N<3>}	118.7380	0.000	1	118.3319	0.222	31	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	118.2860	0.136	2	118.3319	0.222	31	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|H<1>}	118.1542	0.460	6	118.3319	0.222	31	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	118.1450	0.000	1	118.3319	0.222	31	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.8352	0.453	12	120.6950	0.194	36	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]P)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(N[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.6249	0.426	24	120.6950	0.194	36	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	121.0105	0.175	2	120.8127	0.107	4	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.6150	0.366	2	120.8127	0.107	4	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<9>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0884	0.511	8	120.0884	0.261	8	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<5>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	120.3607	0.743	6	120.3607	0.552	6	120.0120	0.689	922	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	120.5340	0.734	2	120.5340	0.539	2	120.5340	0.539	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	120.4315	0.201	4	120.4315	0.040	4	120.5734	0.050	12	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	120.6444	0.210	8	120.6444	0.044	8	120.5734	0.050	12	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:S-3:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SCu2)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(SCu2){1|N<3>,2|H<1>}	120.5003	0.382	7	120.5003	0.146	7	120.5003	0.146	7	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:I-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]I)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(I)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(I){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|H<1>,1|I<1>,1|N<3>}	118.9480	0.000	2	118.9480	0.000	2	118.9480	0.000	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]N[4,6]H)(C[6]C[6]N)(H)	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC)	C[6](C[6]N[4,6]H)(C[6]C[6]N)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(H){1|Si<3>,1|Si<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC){1|Si<3>,1|H<1>,1|N<3>}	119.9740	0.000	1	119.9740	0.000	1	119.9740	0.000	1	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	120.0329	0.252	8	120.0329	0.063	8	120.0329	0.063	8	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|N<3>,2|H<1>}	119.6697	0.860	4	119.6697	0.739	4	119.6697	0.739	4	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BC[6a]2)	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(BC[6a]2){1|N<3>,2|H<1>}	122.8670	0.221	2	122.8670	0.049	2	121.1332	0.934	12	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BOO)	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(BOO){1|N<3>,2|H<1>}	120.7905	0.033	2	120.7905	0.001	2	121.1332	0.934	12	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BOO)	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(BOO){1|N<3>,2|H<1>}	120.7854	0.656	8	120.7854	0.430	8	121.1332	0.934	12	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.8695	0.221	2	120.8695	0.049	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	118.9767	0.276	4	118.9767	0.076	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	119.9160	0.252	4	119.9160	0.064	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Au)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Au<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Au)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	118.8430	0.522	2	118.8430	0.272	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	119.6981	0.876	7	119.6981	0.768	7	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.3778	0.358	4	120.0082	0.142	12	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	119.8235	0.225	8	120.0082	0.142	12	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	119.4810	0.607	2	119.4810	0.368	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	119.1515	0.193	2	119.1515	0.037	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.2790	0.279	2	119.2530	0.045	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.2270	0.235	2	119.2530	0.045	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	119.1635	1.464	2	119.1635	2.145	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	119.9699	0.637	10	120.1305	0.479	12	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.9335	0.257	2	120.1305	0.479	12	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	118.9463	0.642	6	119.2094	0.322	14	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	119.4066	0.447	8	119.2094	0.322	14	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]N){1|N<3>,2|H<1>}	120.2872	0.581	6	120.2872	0.338	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	119.3988	0.814	4	119.3988	0.662	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	118.8490	0.289	4	119.2378	0.250	34	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.3434	0.518	26	119.2378	0.250	34	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	118.9402	0.113	4	119.2378	0.250	34	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	119.2668	0.321	16	119.2668	0.103	16	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	118.4680	0.752	2	119.2725	0.402	16	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.3874	0.554	14	119.2725	0.402	16	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	119.8265	0.597	12	119.8265	0.357	12	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	117.9695	0.770	2	117.9695	0.593	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6]H){1|N<3>,2|H<1>}	119.7520	0.860	2	119.7520	0.739	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	119.3512	0.731	4	119.3512	0.534	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	119.1875	0.328	6	119.2249	0.091	8	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	119.3370	0.253	2	119.2249	0.091	8	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHO){1|N<3>,2|H<1>}	119.7535	0.463	2	119.7535	0.215	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	118.8597	0.422	4	118.8597	0.178	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.1453	0.408	4	119.1657	0.169	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	119.2065	0.585	2	119.1657	0.169	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	120.2980	1.512	2	120.2980	2.286	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.0635	0.574	6	120.0635	0.330	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	119.2107	0.317	6	119.2107	0.100	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	118.3640	0.000	1	118.9697	0.105	7	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.0707	0.202	6	118.9697	0.105	7	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	119.7598	0.248	6	119.7598	0.062	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	119.5915	0.215	4	119.5915	0.046	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	119.5812	0.951	6	119.5812	0.905	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	118.9463	0.334	4	118.9463	0.111	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	120.0155	1.880	6	120.0155	3.534	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	119.8335	2.237	10	119.7860	4.136	12	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	119.5485	0.556	2	119.7860	4.136	12	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	118.4370	0.518	2	118.4370	0.268	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	119.9354	0.384	16	119.9354	0.148	16	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	119.2320	0.355	2	119.2320	0.126	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	119.3388	0.312	6	119.3388	0.097	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.5342	0.507	6	119.3681	0.280	8	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	118.8700	0.106	2	119.3681	0.280	8	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.1028	0.198	12	119.1028	0.039	12	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[5]C)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[5]C){1|N<3>,2|H<1>}	120.7760	0.429	4	120.7760	0.184	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.0745	0.428	12	120.0745	0.183	12	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	119.2010	0.176	4	119.2010	0.031	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.4114	0.262	8	119.4114	0.069	8	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	119.1745	0.195	8	119.1745	0.038	8	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	119.0350	0.000	1	119.1762	0.010	5	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.2115	0.075	4	119.1762	0.010	5	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.7400	0.226	3	119.7400	0.051	3	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CN[6]O){1|N<3>,2|H<1>}	119.7285	0.652	4	119.7285	0.425	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.0517	0.603	14	119.0517	0.364	14	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.1727	0.287	6	119.0667	0.153	18	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	118.9465	0.501	2	119.0667	0.153	18	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.0272	0.450	10	119.0667	0.153	18	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	119.8350	0.805	4	119.8350	0.647	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.3817	0.780	10	120.3817	0.609	10	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	119.6530	0.447	2	119.6530	0.200	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	119.1120	0.181	2	119.1120	0.033	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	120.1666	1.031	16	120.1666	1.062	16	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	117.0158	2.371	6	117.0158	5.623	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.0703	0.814	24	120.0703	0.663	24	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	119.0292	0.856	6	119.0292	0.734	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	119.9351	0.775	16	119.9351	0.601	16	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.5013	0.625	6	119.5013	0.391	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.3870	0.000	1	119.3870	0.000	1	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.2225	0.049	2	119.2837	0.078	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.3143	0.353	4	119.2837	0.078	6	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	119.9292	0.225	8	119.9292	0.051	8	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.4148	0.485	10	120.0875	1.161	32	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	119.7011	1.244	16	120.0875	1.161	32	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.5725	1.075	6	120.0875	1.161	32	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	119.2395	0.047	2	119.2395	0.002	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[5a]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	119.4762	0.420	4	119.4762	0.176	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	119.4243	0.567	4	119.4243	0.322	4	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.6308	0.824	12	119.5268	0.473	18	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	119.3187	0.186	6	119.5268	0.473	18	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	119.6800	0.144	2	119.6800	0.021	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	119.3517	0.278	4	119.2868	0.079	5	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	119.0270	0.000	1	119.2868	0.079	5	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	121.3375	0.218	2	120.7589	0.695	14	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	120.6625	0.864	12	120.7589	0.695	14	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	121.4795	0.070	2	121.4795	0.005	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	120.1420	0.430	2	120.1420	0.185	2	119.5985	0.804	560	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](N[6]B[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<6>,1|H<1>,3|C<3>}	C[6](N[6]B[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|Co<10>,1|H<1>,2|C<3>,4|B<6>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.0910	0.106	2	120.0910	0.011	2	120.9984	1.856	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	123.0090	0.888	2	123.0090	0.789	2	120.9984	1.856	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.6927	1.195	4	120.6927	1.429	4	120.9984	1.856	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|S<2>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.5065	1.016	2	120.5065	1.032	2	120.9984	1.856	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]B[3a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[3a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0195	0.101	2	120.0195	0.010	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]B[3x6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[3x6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.2570	0.197	4	120.2570	0.039	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.9200	0.315	2	120.1340	0.122	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.3480	0.288	2	120.1340	0.122	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.7980	0.566	2	120.7980	0.320	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.9965	0.100	2	119.9965	0.010	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.9880	0.000	1	120.1862	0.078	5	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.3140	0.321	2	120.1862	0.078	5	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.1575	0.367	2	120.1862	0.078	5	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.5345	0.013	2	120.6867	0.070	3	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.9910	0.000	1	120.6867	0.070	3	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	121.0265	1.003	2	121.0265	1.007	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ag<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.9585	0.012	2	119.8377	0.025	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.7170	0.124	2	119.8377	0.025	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Al<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.1365	0.178	4	120.2838	0.138	10	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.1045	0.110	4	120.2838	0.138	10	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.9370	0.198	2	120.2838	0.138	10	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|As<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.5237	0.498	6	120.4824	0.183	8	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|As<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.3585	0.018	2	120.4824	0.183	8	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Au)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Au<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Au)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	121.2845	0.989	4	121.2845	0.979	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Au)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Au<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Au)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	120.3860	0.673	2	120.3860	0.453	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	119.9980	0.204	2	119.9980	0.041	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	119.1265	1.136	2	118.8670	0.727	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	118.6075	0.787	2	118.8670	0.727	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	119.2835	0.104	2	119.2835	0.011	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0755	0.347	2	120.0149	0.214	15	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.1260	0.376	2	120.0149	0.214	15	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	119.0040	0.000	1	120.0149	0.214	15	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0816	0.427	10	120.0149	0.214	15	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	119.1232	0.588	6	119.1232	0.346	6	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NCO){1|C<4>,1|H<1>,1|N<3>}	118.1760	0.000	1	119.0458	0.356	5	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCO){1|N<3>,2|H<1>}	119.2632	0.400	4	119.0458	0.356	5	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NC[6]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NC[6]H){1|N<3>,2|H<1>}	119.5530	0.581	2	119.5530	0.338	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NC[6a]O)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NC[6a]O){1|N<3>,2|H<1>}	118.3756	0.451	20	118.3756	0.204	20	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	119.8365	0.110	2	119.7962	0.027	6	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	119.7760	0.200	4	119.7962	0.027	6	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0560	0.188	2	120.0770	0.012	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0980	0.006	2	120.0770	0.012	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	119.8850	0.250	2	120.0050	0.183	44	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.9985	0.241	6	120.0050	0.183	44	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	119.6865	0.391	2	120.0050	0.183	44	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.9471	0.353	12	120.0050	0.183	44	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	119.6360	0.000	1	120.0050	0.183	44	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0993	0.519	21	120.0050	0.183	44	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	120.2358	0.440	6	120.1891	0.121	10	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	120.1190	0.175	4	120.1891	0.121	10	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	116.6355	0.084	2	116.6355	0.007	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.9765	0.295	6	119.9145	0.175	15	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0820	0.343	6	119.9145	0.175	15	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	119.0750	0.000	1	119.9145	0.175	15	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.6460	0.625	2	119.9145	0.175	15	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	119.0727	0.418	3	119.0727	0.175	3	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<4>,1|H<1>,1|N<3>}	117.1790	0.000	1	117.1790	0.000	1	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.9760	0.122	2	119.9760	0.015	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ge)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.5305	0.293	2	120.5305	0.086	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.9905	0.138	2	119.9905	0.019	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.2495	0.460	11	119.8900	0.409	26	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	119.5602	0.656	13	119.8900	0.409	26	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0570	0.197	2	119.8900	0.409	26	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.7767	0.793	4	119.7655	0.325	8	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.7542	0.359	4	119.7655	0.325	8	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.9359	0.226	8	119.9359	0.051	8	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	119.2768	0.769	4	119.2768	0.591	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.3018	0.290	20	120.3018	0.084	20	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.3200	1.488	6	120.2153	1.272	10	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0583	0.268	4	120.2153	1.272	10	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	119.4870	1.062	2	119.4870	1.128	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCO){1|N<3>,2|H<1>}	118.9195	0.529	4	118.9195	0.280	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NC[6]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NC[6]H){1|N<3>,2|H<1>}	119.1620	0.509	2	119.1620	0.259	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|C<4>,1|H<1>,1|N<3>}	119.6058	0.283	4	119.5637	0.093	6	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	119.4795	0.452	2	119.5637	0.093	6	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]P[4])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	C[6](N[6]C[6]P[4])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.5743	0.249	4	120.5743	0.062	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0181	0.987	44	120.0181	0.975	44	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	119.6439	0.929	16	119.6439	0.863	16	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.9815	1.511	6	120.3305	1.254	17	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	120.1790	0.000	1	120.3305	1.254	17	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.2090	0.532	8	120.3305	1.254	17	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	118.9390	0.324	2	120.3305	1.254	17	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	120.6340	0.000	1	120.6340	0.000	1	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.5938	1.285	16	120.5657	1.498	18	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.3415	0.762	2	120.5657	1.498	18	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	120.1090	0.185	2	120.1090	0.034	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.4130	0.536	4	119.4130	0.287	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.2688	0.407	33	120.3301	0.168	43	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.8275	0.148	4	120.3301	0.168	43	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.3357	0.349	6	120.3301	0.168	43	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	120.0435	0.927	10	119.9555	0.859	11	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	119.0750	0.000	1	119.9555	0.859	11	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	117.9040	0.317	2	117.9040	0.100	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.7741	0.729	12	119.7181	0.515	17	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,1|P<4>,2|H<1>}	118.2610	0.000	1	119.7181	0.515	17	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.9143	0.166	4	119.7181	0.515	17	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.7170	0.387	2	120.7170	0.150	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	119.5247	0.291	4	119.5247	0.085	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHP)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHP){1|N<3>,2|H<1>}	119.5995	0.213	2	119.5995	0.045	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Te)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Te<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Te)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.8645	0.098	2	119.8645	0.010	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ti<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0435	0.234	4	120.0435	0.055	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	120.2310	0.000	1	120.2310	0.000	1	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.3005	0.194	2	120.1880	0.064	9	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.1559	0.272	7	120.1880	0.064	9	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	119.0838	0.922	18	119.0716	0.837	22	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	119.0165	1.021	4	119.0716	0.837	22	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NCO){1|C<3>,1|H<1>,1|N<3>}	118.1360	0.000	1	118.1360	0.000	1	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NC[6a]H){1|N<3>,2|H<1>}	119.7155	0.545	2	119.7155	0.297	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	118.7865	2.558	8	119.2495	3.582	15	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	119.5812	0.216	4	119.2495	3.582	15	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	120.0420	0.302	3	119.2495	3.582	15	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<13>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|Zr<13>,1|N<3>,2|H<1>}	120.8990	0.000	1	120.1287	0.481	3	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<14>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.7435	0.267	2	120.1287	0.481	3	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.8025	0.185	2	120.7225	0.064	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.6425	0.364	2	120.7225	0.064	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]Ga[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]Ga[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,3|S<2>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.7645	1.005	2	119.7645	1.010	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>,2|S<2>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.2533	0.828	4	120.2533	0.685	4	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]Ge[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](N[6]Ge[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.8440	0.423	2	119.8440	0.179	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	C[6](N[6]Nb[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,3|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	119.6945	0.066	2	119.6945	0.004	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[6]Si[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|W<6>,3|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0365	0.028	2	120.0365	0.001	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]Si[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[6]Si[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.4455	0.192	2	120.4455	0.037	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.2445	0.121	2	120.5288	0.105	6	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,3|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.8325	0.398	2	120.5288	0.105	6	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,3|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.5095	0.071	2	120.5288	0.105	6	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]Si[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<3>,1|C<3>,1|H<1>}	C[6](N[6]Si[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	120.0480	0.106	2	120.0480	0.011	2	119.8931	0.810	561	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|Zn<3>,1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	120.4355	0.162	2	119.5305	1.508	4	119.8715	1.197	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	118.6255	1.105	2	119.5305	1.508	4	119.8715	1.197	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	120.5535	0.252	2	120.5535	0.064	2	119.8715	1.197	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	121.0290	1.720	4	121.0290	2.959	4	119.8532	3.288	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	118.1035	0.308	4	118.1035	0.095	4	119.8532	3.288	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	121.0010	0.157	2	121.0010	0.025	2	119.8532	3.288	10	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-3:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SIrC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(SIrC){1|N<3>,2|H<1>}	117.7963	2.099	4	117.7963	4.408	4	117.7963	4.408	4	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NHH){1|H<1>,1|N<3>,1|O<1>}	119.4570	0.000	1	119.4570	0.000	1	118.6048	0.205	33	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	118.5782	0.433	32	118.5782	0.187	32	118.6048	0.205	33	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.0825	0.960	2	121.0825	0.921	2	120.6833	0.733	7	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.1070	0.190	2	121.1070	0.036	2	120.6833	0.733	7	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|S<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	120.1347	0.964	3	120.1347	0.930	3	120.6833	0.733	7	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](NC[6a]C[6])(C[6]C[6]H)2	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](NC[6a]C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>}	119.4052	0.697	4	119.4052	0.486	4	119.4052	0.486	4	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	118.8045	0.491	2	118.8045	0.242	2	118.8045	0.242	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	116.3915	0.023	2	116.3915	0.001	2	116.3915	0.001	2	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO){1|H<1>,2|C<3>}	123.5020	0.000	1	123.5020	0.000	1	123.5020	0.000	1	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|O<1>,4|C<3>}	117.2380	0.000	1	117.2380	0.000	1	118.2463	0.771	3	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(COO){1|O<1>,2|C<3>}	118.7505	0.129	2	118.7505	0.017	2	118.2463	0.771	3	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]O)2(CC[6a]C){1|C<3>,2|H<1>}	113.0870	0.000	1	113.0870	0.000	1	113.0870	0.000	1	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|H<1>}	122.5910	0.000	1	122.5910	0.000	1	118.0137	12.604	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|H<1>}	120.0170	0.000	1	120.0170	0.000	1	118.0137	12.604	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NPdP)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NPdP){1|C<3>,2|H<1>}	120.6070	0.000	1	120.6070	0.000	1	118.0137	12.604	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|H<1>}	115.6875	0.248	2	115.6875	0.062	2	118.0137	12.604	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|H<1>}	113.4920	0.000	1	113.4920	0.000	1	118.0137	12.604	6	119.9611	1.220	4423	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:Br-1:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(Br)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Br)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN)	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(Br){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]Br)(O){1|C<4>,4|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN){1|O<1>,2|C<3>}	123.8180	0.000	1	123.8180	0.000	1	123.8180	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH){1|O<1>,2|C<3>}	123.7320	0.000	1	123.7320	0.000	1	123.7320	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(Br){1|C<4>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	121.4685	0.057	2	121.4685	0.003	2	121.4685	0.003	2	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	121.1280	0.000	1	121.1280	0.000	1	121.1280	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(Cl){1|N<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]Cl)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	120.5110	0.000	1	120.5110	0.000	1	120.5110	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]F)2(CCoHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(F){1|C<2>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]F)2(CCoHN){1|C<3>,1|H<1>}	124.6050	0.000	1	124.6050	0.000	1	124.6050	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]B[6]H)(C[6]C[6]C)(H)	C[6](B[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCCH)	C[6](C[6]B[6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](B[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CCCH){1|B<3>,2|H<1>}	123.5577	0.426	4	123.5577	0.181	4	123.5577	0.181	4	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[3x6]H)(C[6]N[6]C)(H)	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H)	C[6](N[6]C[3x6]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[3x6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|C<4>}	C[6](C[3x6]C[4,6,6]C[3x6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,4|C<4>}	C[6](N[6]C[3x6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	119.0718	0.450	4	119.0718	0.203	4	119.0718	0.203	4	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<4>,1|S<2>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3){1|B<4>,1|C<3>,1|H<1>}	120.0280	0.000	1	120.0280	0.000	1	120.3629	0.085	7	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|In<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|In<6>,1|C<3>,1|H<1>}	120.4187	0.274	6	120.4187	0.075	6	120.3629	0.085	7	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	122.3220	0.000	1	122.3220	0.000	1	122.1545	0.056	2	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.9870	0.000	1	121.9870	0.000	1	122.1545	0.056	2	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	120.5820	0.335	2	120.5820	0.112	2	120.6397	0.066	3	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(H){1|B<4>,1|C<4>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	120.7550	0.000	1	120.7550	0.000	1	120.6397	0.066	3	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|C<4>}	C[6](C[6,6]C[3,6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.6365	0.442	2	119.6365	0.195	2	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.6860	0.000	1	119.8293	0.040	3	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	120.0590	0.000	1	119.8293	0.040	3	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]Al)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	119.7430	0.000	1	119.8293	0.040	3	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]B)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|B<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]B)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	120.5930	0.000	1	120.5930	0.000	1	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	119.9690	0.124	2	119.9690	0.015	2	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CC[6]2F)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CC[6]2F){1|C<3>,1|H<1>,1|N<3>}	118.7805	0.523	2	118.6555	0.086	6	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CC[6]2F)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CC[6]2F){1|C<3>,1|H<1>,1|N<3>}	118.5930	0.194	4	118.6555	0.086	6	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<2>,1|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.0250	0.000	1	120.8360	0.071	2	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.6470	0.000	1	120.8360	0.071	2	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	119.4940	0.149	3	119.3375	0.113	4	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	118.8680	0.000	1	119.3375	0.113	4	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Dy)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Dy<13>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Dy<13>,1|Br<1>,1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6,6]Dy)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.1330	0.763	3	121.1330	0.582	3	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Fe<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	118.9385	0.337	2	119.1980	0.259	3	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	119.7170	0.000	1	119.1980	0.259	3	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<5>,1|H<1>,1|N<3>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<5>,1|H<1>}	120.9525	0.265	2	120.9525	0.070	2	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<4>}	C[6](N[6]C[6,6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	120.0180	0.000	1	120.0180	0.000	1	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	118.9340	0.356	2	118.9340	0.127	2	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Pt)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.4730	0.000	1	120.4730	0.000	1	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(CSiHH)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Rh<7>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Rh)(C[6]C[6]H)(CSiHH){1|C<3>,1|H<1>,1|N<3>}	120.5200	0.000	1	120.5200	0.000	1	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|N<2>}	119.7150	0.235	4	119.7150	0.055	4	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|Ti<9>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](N[6]C[6,6]Ti)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	120.9045	0.053	2	120.9045	0.003	2	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.4195	1.151	4	121.4195	1.325	4	119.9621	1.004	43	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	122.1850	0.000	1	122.1850	0.000	1	122.1850	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3){1|Cl<1>,2|C<3>}	120.5285	0.473	2	120.6252	0.785	4	120.6252	0.785	4	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:Cl-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]Cl)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3){1|Cl<1>,2|C<3>}	120.7220	1.447	2	120.6252	0.785	4	120.6252	0.785	4	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|N<3>,2|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	120.5380	0.000	1	120.5380	0.000	1	120.5380	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]C)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[5a,6]C)(H){1|B<4>,2|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,4|C<3>}	121.8250	0.000	1	121.8250	0.000	1	121.8250	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6,6]C)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6,6]C)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	120.7330	0.000	1	120.7330	0.000	1	120.7330	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.8000	0.727	2	120.8000	0.528	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ag<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	119.7640	0.224	4	119.7640	0.050	4	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ag<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.6880	0.173	2	119.6880	0.030	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.4175	0.223	4	120.8735	0.233	24	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.8911	0.341	16	120.8735	0.233	24	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Al<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.2592	0.825	4	120.8735	0.233	24	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ba)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ba<11>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|S<4>,2|C<3>}	C[6](N[6]C[6,6a]Ba)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	120.2030	0.000	1	120.2030	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(CHOO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Bi<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Bi)(C[6]C[6]H)(CHOO){1|H<1>,2|C<3>}	118.8807	0.420	3	118.8807	0.176	3	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.0240	0.000	1	121.0240	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ca)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ca<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ca)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	119.3505	0.649	4	119.3505	0.421	4	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.9817	0.174	3	119.9817	0.030	3	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	119.4853	0.282	15	119.4853	0.080	15	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	119.2960	0.335	2	119.2960	0.112	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CC[6]CO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	119.8140	0.414	2	119.8140	0.172	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.4189	0.725	8	120.5009	0.392	24	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.3796	0.764	7	120.5009	0.392	24	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.6803	0.473	7	120.5009	0.392	24	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.6255	0.286	2	120.5009	0.392	24	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	118.9155	0.021	2	118.9817	0.013	3	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	119.1140	0.000	1	118.9817	0.013	3	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	120.9742	0.101	4	121.1260	0.143	6	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Co<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	121.4295	0.637	2	121.1260	0.143	6	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cr<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	120.9820	0.000	1	120.9820	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	120.5158	0.436	17	120.5581	0.144	33	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	120.6030	0.317	16	120.5581	0.144	33	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	119.3900	0.847	6	119.3900	0.717	6	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	120.0921	0.565	12	120.0921	0.319	12	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[6]CH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CC[6]CH){1|H<1>,2|C<3>}	120.1325	0.086	2	120.1325	0.007	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CF3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CF3){1|H<1>,2|C<3>}	118.4391	0.306	16	118.4391	0.094	16	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.6150	0.045	2	120.4386	0.333	168	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.4273	0.571	152	120.4386	0.333	168	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.4575	0.566	8	120.4386	0.333	168	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.9747	0.466	6	120.4386	0.333	168	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	119.0605	0.555	2	119.2731	1.218	20	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	119.3308	1.226	16	119.2731	1.218	20	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	119.0240	0.057	2	119.2731	1.218	20	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	119.9255	0.567	4	120.0052	0.386	6	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	120.1645	0.943	2	120.0052	0.386	6	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	119.5010	0.000	1	119.5010	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.7365	1.123	4	120.9549	0.515	19	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.1283	0.226	6	120.9549	0.515	19	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.9364	0.779	9	120.9549	0.515	19	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	119.3950	0.377	19	119.3950	0.142	19	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	120.0430	0.000	1	120.0430	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	120.9147	0.718	10	120.9026	0.427	16	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	120.8825	0.593	6	120.9026	0.427	16	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	120.6605	0.209	2	120.6605	0.044	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	121.3610	0.000	1	121.3610	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	120.3290	0.000	1	120.4613	0.199	34	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.4653	0.452	33	120.4613	0.199	34	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Hg<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.1552	0.697	4	119.1552	0.486	4	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Hg<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	119.3200	0.000	1	119.3200	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CC3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	122.5240	0.000	1	122.5240	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	120.9780	0.000	1	120.9780	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|I<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	121.6840	0.000	1	121.6840	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.9970	0.124	2	120.9970	0.015	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Li)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Li<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Li)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.6105	0.084	4	119.6542	0.015	5	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Li)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Li<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Li)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.8290	0.000	1	119.6542	0.015	5	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	119.8350	0.485	2	119.8350	0.235	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.6500	0.396	2	120.3753	0.305	9	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.9250	0.000	1	120.3753	0.305	9	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.7800	0.303	2	120.3753	0.305	9	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.4085	0.063	2	120.3753	0.305	9	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.8880	0.274	2	120.3753	0.305	9	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	119.6845	0.586	2	119.2985	0.197	17	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	119.2471	0.420	15	119.2985	0.197	17	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mo<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.9320	0.385	2	120.7177	0.091	14	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mo<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.6007	0.237	10	120.7177	0.091	14	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Mo<9>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.0885	0.176	2	120.7177	0.091	14	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	121.0305	0.822	2	121.0305	0.676	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.2382	0.918	18	121.0028	0.667	29	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.5435	0.473	6	121.0028	0.667	29	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.7555	0.634	2	121.0028	0.667	29	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<7>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.6743	0.222	3	121.0028	0.667	29	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	119.4360	0.259	2	119.4360	0.067	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	120.1298	0.448	8	120.1298	0.201	8	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pb)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pb<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|N<3>}	C[6](N[6]C[6,6a]Pb)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.6910	0.000	1	119.8053	0.044	4	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pb)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pb<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pb)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.8433	0.238	3	119.8053	0.044	4	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CC[5a]2H)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CC[5a]2H){1|H<1>,2|C<3>}	121.0800	0.000	1	121.0800	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.2142	0.539	10	121.0863	0.328	12	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.4465	0.056	2	121.0863	0.328	12	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	120.1945	0.148	2	120.1945	0.022	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	119.7127	1.161	7	119.7127	1.348	7	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.2478	0.792	14	121.2024	0.855	25	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	122.2773	0.264	3	121.2024	0.855	25	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.0250	0.000	1	121.2024	0.855	25	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.9621	0.771	7	121.2024	0.855	25	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Pt<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	118.6860	0.000	1	118.6860	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.8214	0.727	8	120.8214	0.528	8	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	118.8926	0.633	9	118.8926	0.400	9	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	120.7440	0.375	6	120.7440	0.140	6	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Rh<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.9890	0.000	1	121.0212	0.286	5	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Rh<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.0293	0.617	4	121.0212	0.286	5	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Rh<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	119.9933	0.113	3	120.1225	0.075	4	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Rh<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	120.5100	0.000	1	120.1225	0.075	4	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.6207	1.116	22	121.6180	1.137	24	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<9>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	121.5875	0.015	2	121.6180	1.137	24	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|N<2>}	119.6420	0.000	1	119.9165	0.164	6	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	119.9023	0.234	3	119.9165	0.164	6	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	120.6160	0.000	1	119.9165	0.164	6	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<9>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	119.5340	0.000	1	119.9165	0.164	6	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	119.2470	0.000	1	119.2470	0.000	1	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Sn<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.5280	0.233	2	120.5049	0.301	11	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Sn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.5880	0.518	4	120.5049	0.301	11	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Sn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.4292	0.723	5	120.5049	0.301	11	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CC[6]CC)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CC[6]CC){1|H<1>,2|C<3>}	119.6575	0.153	2	119.6575	0.024	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.1553	0.444	17	120.1191	0.154	25	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.2150	0.000	1	120.1191	0.154	25	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.9940	0.253	3	120.1191	0.154	25	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.0352	0.322	4	120.1191	0.154	25	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	119.3434	0.689	8	119.3793	0.342	18	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	119.4081	0.525	10	119.3793	0.342	18	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	119.8385	0.258	2	119.8385	0.067	2	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|C<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.2107	0.457	6	120.2107	0.209	6	120.3133	0.805	730	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	124.4130	0.035	2	124.4130	0.001	2	123.5559	0.555	16	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){1|C<4>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	123.3582	0.487	4	123.3326	0.181	5	123.5559	0.555	16	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(O){2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	123.2300	0.000	1	123.3326	0.181	5	123.5559	0.555	16	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	123.8350	1.926	2	123.8350	3.710	2	123.5559	0.555	16	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	123.0870	0.000	1	123.0870	0.000	1	123.5559	0.555	16	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	123.1290	0.450	2	123.5258	0.305	4	123.5559	0.555	16	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	123.9225	0.288	2	123.5258	0.305	4	123.5559	0.555	16	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5]2C){1|O<1>,2|C<3>}	123.8730	0.000	1	123.8730	0.000	1	123.5559	0.555	16	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5a]2C)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5a]2C){1|O<1>,2|C<3>}	122.6720	0.000	1	122.6720	0.000	1	123.5559	0.555	16	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(Br)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(Br){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Br<1>,1|C<3>}	121.0010	0.000	1	121.0010	0.000	1	121.2772	0.484	5	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|Br<1>,2|C<3>}	122.0110	0.197	2	122.0110	0.039	2	121.2772	0.484	5	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CC[6a]HH){2|Br<1>,1|C<3>}	120.6815	0.183	2	120.6815	0.034	2	121.2772	0.484	5	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]Br)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)2(SC[6]OO)	C[6](C[6]C[6]Br)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]H)2(SC[6]OO){2|Br<1>,1|C<3>}	119.1273	0.796	8	119.1273	0.634	8	119.1273	0.634	8	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)2(SC[6]OO)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|S<4>}	C[6](C[6]C[6]H)2(SC[6]OO){2|Cl<1>,1|C<3>}	118.9875	0.688	8	118.9875	0.473	8	118.9875	0.473	8	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,3|H<1>}	122.5030	0.000	1	122.5030	0.000	1	122.5030	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	120.5590	0.000	1	120.5590	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	120.0920	0.666	2	119.9482	2.268	11	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Os<6>,1|C<3>,1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Os<6>,1|C<3>,1|H<1>}	119.9162	1.665	9	119.9482	2.268	11	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pt<4>,1|C<3>,1|H<1>}	119.7250	0.000	1	119.7250	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	120.4690	0.000	1	120.4690	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	120.5860	0.000	1	120.3960	0.072	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	120.2060	0.000	1	120.3960	0.072	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHO){1|C<3>,2|H<1>}	120.5540	0.062	2	120.5540	0.004	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCuCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CCuCH){1|C<3>,1|H<1>}	120.8770	0.000	1	120.8770	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,3|H<1>}	121.5630	0.000	1	122.1195	0.619	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|C<4>,1|H<2>}	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|C<3>,1|H<1>,1|H<2>}	122.6760	0.000	1	122.1195	0.619	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHS)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CHHS){1|C<3>,1|H<1>}	121.2570	0.000	1	121.2570	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	122.2750	0.226	2	122.2750	0.051	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]CO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CC[6]CO){1|C<3>,1|H<1>}	122.0180	0.000	1	122.0180	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CC[6]HO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CC[6]HO){1|C<3>,1|H<1>}	120.0350	0.000	1	120.0350	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	121.6420	0.000	1	121.9820	0.231	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	122.3220	0.000	1	121.9820	0.231	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|H<1>}	121.8075	0.972	2	121.8075	0.945	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	121.2125	2.224	2	121.2125	4.946	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CCHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHO){1|C<3>,2|H<1>}	121.3630	0.256	2	121.3630	0.066	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CC[6]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	122.0060	0.533	2	122.0060	0.284	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CC[6a]2C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2C){1|C<3>,2|H<1>}	122.1131	0.239	11	122.1131	0.057	11	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CC[6a]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2H){1|C<3>,2|H<1>}	121.5405	0.605	2	121.5405	0.366	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CC[6a]CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]CC){1|C<3>,2|H<1>}	122.3550	0.109	2	122.3550	0.012	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CF3){1|H<1>,2|C<3>}	120.0660	0.000	1	120.0660	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.8960	0.000	1	122.4634	0.221	9	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|P<4>}	122.9680	0.000	1	122.4634	0.221	9	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	122.5877	0.356	6	122.4634	0.221	9	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	121.7810	0.000	1	122.4634	0.221	9	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	121.3930	0.444	4	121.3930	0.197	4	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	121.1845	0.251	2	121.1845	0.063	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	120.8123	0.241	7	120.8123	0.058	7	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS){1|C<3>,2|H<1>}	121.3340	0.627	3	121.3340	0.393	3	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	121.5845	0.368	2	121.3805	0.291	15	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	121.3491	0.566	13	121.3805	0.291	15	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|H<1>}	120.5730	0.409	2	120.5730	0.167	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH){1|C<3>,2|H<1>}	120.1440	0.000	1	120.1440	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	120.7922	0.585	29	120.7922	0.342	29	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	120.8548	1.573	33	120.8548	2.475	33	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>}	120.1740	0.175	2	120.1740	0.031	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP){1|C<3>,2|H<1>}	120.9960	0.000	1	120.9960	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH){1|C<3>,2|H<1>}	120.8732	1.440	4	120.8732	2.075	4	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|C<3>,2|H<1>}	122.1263	0.067	3	122.5611	0.690	24	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|C<3>,2|H<1>}	122.6232	0.872	21	122.5611	0.690	24	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO){1|C<3>,2|H<1>}	122.9120	0.000	1	122.9120	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,2|H<1>}	120.8830	0.152	5	120.8830	0.023	5	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	122.4445	0.299	2	121.9959	0.450	42	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	121.9734	0.678	40	121.9959	0.450	42	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(CCHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CCHN){1|C<3>,3|H<1>}	119.8060	0.000	1	119.8060	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	119.9800	0.000	1	120.2692	0.265	5	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>}	120.3415	0.564	4	120.2692	0.265	5	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pd<4>,1|C<3>,1|H<1>}	118.7960	0.000	1	119.1806	0.291	7	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pt<4>,1|C<3>,1|H<1>}	119.2720	0.619	4	119.1806	0.291	7	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Ru<9>,1|C<3>,1|H<1>}	119.1900	0.643	2	119.1806	0.291	7	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<8>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<8>,1|C<3>,1|H<1>}	121.4800	0.000	1	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cr<6>,1|C<3>,1|H<1>}	120.7250	0.023	2	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	120.3668	0.388	10	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	120.3573	0.307	7	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Eu<13>,1|C<3>,1|H<1>}	120.4725	0.218	2	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	119.9487	0.426	13	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Hg<4>,1|C<3>,1|H<1>}	120.5830	0.465	2	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<4>,1|C<3>,1|H<1>}	119.9445	0.156	4	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|H<1>}	120.3635	0.428	2	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	119.9000	0.000	1	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	119.6343	0.540	3	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<6>,1|C<3>,1|H<1>}	120.5735	1.077	2	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<6>,1|C<3>,1|H<1>}	120.0687	0.430	12	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	120.3156	0.515	10	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	121.1628	0.334	4	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	120.7605	0.390	2	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<6>,1|C<3>,1|H<1>}	120.5925	0.446	2	120.2827	0.275	79	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Cu<5>,1|C<3>,1|H<1>}	119.6995	0.495	8	119.9842	0.404	29	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ni<6>,1|C<3>,1|H<1>}	120.2140	0.708	8	119.9842	0.404	29	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ru<6>,1|C<3>,1|H<1>}	119.2055	0.446	2	119.9842	0.404	29	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<6>,1|C<3>,1|H<1>}	120.1656	0.569	11	119.9842	0.404	29	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pt<4>,1|C<3>,1|H<1>}	120.1257	0.411	14	120.1218	0.157	15	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Re<6>,1|C<3>,1|H<1>}	120.0670	0.000	1	120.1218	0.157	15	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Cu<6>,1|C<3>,1|H<1>}	119.1900	1.983	2	119.2880	1.067	5	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Fe<6>,1|C<3>,1|H<1>}	119.3533	0.390	3	119.2880	1.067	5	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<14>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|Zr<14>,1|C<3>,2|H<1>}	121.4950	0.000	2	121.4950	0.000	2	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Au<4>,1|C<3>,1|H<1>}	119.4855	0.360	2	119.3234	0.883	18	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Ir<6>,1|C<3>,1|H<1>}	119.4113	1.174	9	119.3234	0.883	18	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pt<4>,1|C<3>,1|H<1>}	119.1641	0.769	7	119.3234	0.883	18	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	121.1550	0.000	1	120.5922	0.235	25	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	120.1270	0.047	2	120.5922	0.235	25	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	120.9273	0.514	7	120.5922	0.235	25	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	120.4603	0.401	15	120.5922	0.235	25	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<6>,1|C<3>,1|H<1>}	120.2531	1.012	8	120.2531	1.024	8	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pd<4>,1|C<3>,1|H<1>}	118.6830	0.000	1	118.6830	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	121.9450	0.000	1	121.9450	0.000	1	120.8268	1.377	432	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|S<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NH3){1|C<3>,2|H<1>}	120.5590	0.000	1	120.5590	0.000	1	119.6934	0.874	10	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]H)2(NH3){1|C<3>,3|H<1>}	120.8550	0.000	1	120.8550	0.000	1	119.6934	0.874	10	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NH3){1|C<3>,2|H<1>}	118.7562	0.505	4	118.7562	0.255	4	119.6934	0.874	10	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NH3){1|C<3>,2|H<1>}	120.1238	0.498	4	120.1238	0.248	4	119.6934	0.874	10	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PC[6]2Mo)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6]2Mo){1|C<3>,1|H<1>}	121.0170	0.000	1	121.0170	0.000	1	120.6972	0.315	5	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	120.8110	0.000	1	120.8110	0.000	1	120.6972	0.315	5	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3){1|C<3>,2|H<1>}	121.0170	0.000	1	121.0170	0.000	1	120.6972	0.315	5	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	119.7050	0.000	1	119.7050	0.000	1	120.6972	0.315	5	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	120.9360	0.000	1	120.9360	0.000	1	120.6972	0.315	5	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SCOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(SCOO){1|C<3>,2|H<1>}	119.1330	0.485	2	119.1330	0.235	2	119.6328	0.370	40	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,2|H<1>}	118.6435	0.081	2	118.6435	0.007	2	119.6328	0.370	40	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SMn3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|S<4>}	C[6](C[6]C[6]H)2(SMn3){1|C<3>,1|H<1>}	119.6520	0.000	1	119.6520	0.000	1	119.6328	0.370	40	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(SNOO){1|C<3>,2|H<1>}	119.1977	0.522	4	119.1977	0.273	4	119.6328	0.370	40	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SN[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(SN[5]OO){1|C<3>,2|H<1>}	119.1010	0.853	4	119.1010	0.728	4	119.6328	0.370	40	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SN[6]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(SN[6]OO){1|C<3>,2|H<1>}	118.9605	0.151	2	118.9605	0.023	2	119.6328	0.370	40	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(SO3){1|C<3>,2|H<1>}	119.5585	0.021	2	119.5585	0.000	2	119.6328	0.370	40	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,2|H<1>}	120.0464	0.361	20	120.0464	0.130	20	119.6328	0.370	40	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	119.6780	0.000	1	119.6780	0.000	1	119.6328	0.370	40	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	119.6340	0.000	2	119.6340	0.000	2	119.6328	0.370	40	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SiSiCC)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(SiSiCC){1|C<3>,2|H<1>}	121.5150	0.000	1	121.5150	0.000	1	121.5150	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	125.0730	0.000	1	125.0730	0.000	1	120.6189	1.889	15	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	121.2970	0.281	2	121.3463	0.047	3	120.6189	1.889	15	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	121.4450	0.000	1	121.3463	0.047	3	120.6189	1.889	15	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	120.0331	0.301	7	120.0331	0.091	7	120.6189	1.889	15	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	119.9747	0.429	3	119.9747	0.184	3	120.6189	1.889	15	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	120.0150	0.000	1	120.0150	0.000	1	120.6189	1.889	15	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,5|C<3>}	121.0290	0.564	2	121.0290	0.318	2	121.0290	0.318	2	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Br<1>,1|Fe<6>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	120.1107	0.558	6	120.1107	0.312	6	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Br<1>,1|Ni<6>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	120.0422	1.194	6	120.0422	1.427	6	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	118.8710	0.000	1	119.0665	0.076	2	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	119.2620	0.000	1	119.0665	0.076	2	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	119.2465	0.163	2	118.8913	0.392	3	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	118.1810	0.000	1	118.8913	0.392	3	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	120.5490	0.000	1	120.5490	0.000	1	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	119.3620	0.338	2	119.4413	0.189	18	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	119.4191	0.472	14	119.4413	0.189	18	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	119.6760	0.281	2	119.4413	0.189	18	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	120.8260	0.000	1	120.8260	0.000	1	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	118.8257	0.386	4	118.8257	0.149	4	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]CH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]CH){1|C<3>,2|H<1>}	119.8695	0.170	2	119.8695	0.029	2	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	119.4490	0.386	2	119.4490	0.149	2	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<7>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<7>,1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.2790	0.000	1	120.2790	0.000	1	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|Si<4>,1|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	118.9110	0.000	1	118.9110	0.000	1	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	119.2750	1.000	2	119.2750	1.000	2	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	119.4467	0.358	4	119.4467	0.128	4	119.5568	0.503	53	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SPdOO)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Pd<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SPdOO){1|C<3>,2|H<1>}	118.4790	0.132	2	118.4790	0.017	2	118.4790	0.017	2	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|O<1>}	120.2620	0.554	3	120.2620	0.306	3	120.2620	0.306	3	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]Br)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(Br){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|Br<1>,1|H<1>,1|N<3>}	119.0350	1.484	3	119.0350	2.203	3	119.0350	2.203	3	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(BN[6]CC)	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(BN[6]CC){1|N<3>,2|H<1>}	122.3083	0.263	10	122.3083	0.069	10	122.1247	0.433	11	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BF3)	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(BF3){1|C<4>,1|H<1>,1|N<3>}	120.2890	0.000	1	120.2890	0.000	1	122.1247	0.433	11	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.7317	0.465	12	120.7317	0.216	12	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.6150	0.629	2	120.5486	0.365	22	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.5419	0.618	20	120.5486	0.365	22	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	120.6035	0.917	2	120.6035	0.841	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	121.1425	0.013	2	121.1425	0.000	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	120.8148	0.457	26	120.8148	0.208	26	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	120.3050	0.171	9	120.3050	0.029	9	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CF3){1|N<3>,2|H<1>}	118.5120	3.407	2	118.5120	11.607	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CGeHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CGeHH){1|N<3>,2|H<1>}	120.6540	0.437	2	120.6540	0.191	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.9916	1.667	76	120.8577	2.494	89	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	119.8660	0.000	1	120.8577	2.494	89	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	119.6345	0.161	2	120.8577	2.494	89	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.1844	0.349	10	120.8577	2.494	89	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	120.0362	0.280	4	120.0362	0.078	4	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHP)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHP){1|N<3>,2|H<1>}	120.3415	0.408	2	120.3415	0.166	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHOO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHOO){1|N<3>,2|H<1>}	119.6015	0.030	2	119.6015	0.001	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	119.8425	0.286	4	119.8425	0.082	4	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CSeHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CSeHH){1|N<3>,2|H<1>}	120.5200	0.445	4	120.5200	0.198	4	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CSiHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CSiHH){1|N<3>,2|H<1>}	120.8540	0.151	4	120.8540	0.023	4	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.0835	0.091	2	120.0835	0.008	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	120.2640	0.000	1	120.2640	0.000	1	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	120.2933	0.446	21	120.2933	0.199	21	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	120.1907	0.672	3	120.1907	0.451	3	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<3>,2|H<1>}	120.7675	0.197	2	120.7675	0.039	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.4087	0.415	6	120.1962	0.262	13	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.0140	0.545	7	120.1962	0.262	13	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>}	120.3940	0.000	1	120.2007	0.652	180	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	120.1996	0.809	179	120.2007	0.652	180	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHN){1|N<3>,2|H<1>}	119.6155	0.264	4	119.6155	0.070	4	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHO){1|N<3>,2|H<1>}	120.1432	0.793	4	120.1432	0.628	4	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[5]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[5]HH){1|N<3>,2|H<1>}	120.2440	0.134	2	120.2440	0.018	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2H){1|N<3>,2|H<1>}	120.0930	0.097	4	120.0930	0.009	4	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]CO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]CO){1|N<3>,2|H<1>}	120.4733	0.452	3	120.4733	0.204	3	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	120.1659	0.498	10	120.1659	0.248	10	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CClHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CClHH){1|N<3>,2|H<1>}	119.4470	0.052	2	119.4470	0.003	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Br<1>,1|H<1>,1|N<3>}	119.7217	3.081	3	119.7533	0.852	158	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.0598	1.031	82	119.7533	0.852	158	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	119.5603	0.327	3	119.7533	0.852	158	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	119.3447	0.375	46	119.7533	0.852	158	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	120.0050	0.467	3	119.7533	0.852	158	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	119.4054	0.496	15	119.7533	0.852	158	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.5545	0.299	6	119.7533	0.852	158	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	120.1381	2.055	46	120.1664	4.168	47	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	121.4710	0.000	1	120.1664	4.168	47	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	119.5567	0.392	18	119.5577	0.145	19	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	119.5760	0.000	1	119.5577	0.145	19	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHP)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]H)2(CHHP){1|H<1>,1|N<3>,1|P<4>}	119.4115	0.353	2	119.4115	0.125	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHOP)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHOP){1|N<3>,2|H<1>}	119.9445	0.183	2	119.9445	0.034	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNOV)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CNOV){1|N<3>,2|H<1>}	118.8125	0.022	2	118.8125	0.000	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	119.5175	0.664	8	119.5175	0.441	8	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[5a]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5a]HH){1|N<3>,2|H<1>}	119.4917	0.517	4	119.4917	0.267	4	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	119.7724	0.568	34	119.7724	0.322	34	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CSeHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CSeHH){1|N<3>,2|H<1>}	120.6345	0.360	2	120.6345	0.130	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CSi2H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CSi2H){1|N<3>,2|H<1>}	120.8405	0.128	2	120.8405	0.016	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]I)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.2980	0.363	2	120.2980	0.132	2	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	121.1985	0.228	2	120.9940	0.097	4	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.7895	0.267	2	120.9940	0.097	4	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	121.3656	0.408	18	121.4340	0.163	22	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	121.7420	0.197	4	121.4340	0.163	22	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	121.1713	0.375	30	121.1654	0.149	40	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	122.0760	0.000	1	121.1654	0.149	40	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	121.0040	0.291	7	121.1654	0.149	40	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	121.1865	0.476	2	121.1654	0.149	40	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	121.0220	0.000	1	121.0220	0.000	1	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.3900	0.814	4	120.3900	0.663	4	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.0665	0.563	4	120.0665	0.317	4	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]Y)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Y<15>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]Y)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|Y<15>,1|H<1>,2|N<3>}	119.2190	0.000	1	119.2190	0.000	1	120.2616	1.176	795	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)2(PC[6a]3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PC[6a]3){1|N<3>,2|H<1>}	118.9210	0.225	2	118.9210	0.051	2	119.0887	0.110	3	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,2|P<4>}	C[6](C[6]C[6]H)2(PO3){1|H<1>,1|N<3>,1|P<4>}	119.4240	0.000	1	119.4240	0.000	1	119.0887	0.110	3	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|O<1>}	121.4960	0.000	1	121.4960	0.000	1	121.4960	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H){3|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	120.4755	0.078	2	120.5247	0.466	4	120.2303	0.393	11	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H){3|Cl<1>,1|C<4>,1|N<3>,1|O<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	120.5740	1.175	2	120.5247	0.466	4	120.2303	0.393	11	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H){3|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	119.7520	0.105	2	119.6953	0.009	4	120.2303	0.393	11	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(H){3|Cl<1>,1|C<4>,1|N<3>,1|O<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	119.6385	0.056	2	119.6953	0.009	4	120.2303	0.393	11	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|H<1>,2|N<3>}	121.2120	0.000	1	121.2120	0.000	1	120.2303	0.393	11	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5]C[5,6])(C[6]C[6]H)(H){2|Cl<1>,1|C<4>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	120.2205	0.233	2	120.2205	0.054	2	120.2303	0.393	11	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]O)(C[6]N[6]C)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(O)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]O)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<3>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(CH3){1|O<1>,2|N<3>}	124.1465	0.573	2	124.1465	0.329	2	124.1268	0.147	4	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]O)(C[6]N[6]C)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(O)	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]O)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<3>}	C[6](N[6]C[5,6]Pd)(C[6]C[6]H)(CH3){1|O<1>,2|N<3>}	124.1070	0.334	2	124.1070	0.111	2	124.1268	0.147	4	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(H){1|C<4>,1|F<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	119.6910	0.000	1	119.6910	0.000	1	119.8253	0.236	9	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	119.7624	0.501	7	119.7624	0.251	7	119.8253	0.236	9	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(H){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	120.4000	0.000	1	120.4000	0.000	1	119.8253	0.236	9	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6]O)(C[6]N[6]C)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](N[6]C[6,6]Zn)(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Zn)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	122.1880	0.000	1	122.1880	0.000	1	122.1880	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BO3)	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(BO3){1|N<3>,2|H<1>}	123.2632	2.266	4	123.2632	5.135	4	123.2632	5.135	4	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.8535	0.162	2	120.8535	0.026	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.3920	0.211	2	120.5362	0.075	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.6805	0.312	2	120.5362	0.075	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.2865	0.253	4	120.3506	0.066	8	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.4147	0.281	4	120.3506	0.066	8	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.5883	0.534	4	120.5883	0.285	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6a,6a]C[6])(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.5203	0.267	4	120.5203	0.071	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.2877	0.287	3	120.2877	0.082	3	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	120.2925	0.105	2	120.2925	0.011	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2O){1|N<3>,2|H<1>}	120.1260	0.462	2	120.1260	0.214	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.5538	1.161	4	119.5538	1.348	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.3415	0.177	2	120.3415	0.032	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Bi<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Bi)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	118.5820	1.779	2	118.5820	3.165	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	118.3855	0.344	2	118.8962	0.205	8	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	118.8593	0.154	4	118.8962	0.205	8	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.4810	0.192	2	118.8962	0.205	8	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	119.8770	0.072	2	119.8770	0.005	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	119.9001	0.486	10	119.9001	0.236	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	120.4700	0.788	4	120.4700	0.620	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.9695	0.606	10	120.7195	0.508	13	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	119.8860	0.202	3	120.7195	0.508	13	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|N<3>}	119.2470	0.025	2	120.0758	0.260	18	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	120.1794	0.438	16	120.0758	0.260	18	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	119.2275	0.782	6	119.9165	0.523	22	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.2045	0.227	4	119.9165	0.523	22	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.0870	0.018	2	119.9165	0.523	22	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.1888	0.587	6	119.9165	0.523	22	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.7755	0.121	2	119.9165	0.523	22	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.5605	1.214	2	119.9165	0.523	22	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	119.5217	0.435	13	119.5217	0.189	13	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	119.0405	0.395	2	119.0405	0.156	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.3997	0.726	4	120.6112	0.697	6	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	121.0340	1.171	2	120.6112	0.697	6	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CF3){1|N<3>,2|H<1>}	118.4105	0.251	2	118.4105	0.063	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.0775	0.376	4	120.0264	0.119	5	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.8220	0.000	1	120.0264	0.119	5	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]H)2(CC3){1|H<1>,1|N<3>,1|P<4>}	120.2955	0.398	2	120.4924	0.204	23	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	120.0327	0.281	3	120.4924	0.204	23	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.5075	0.204	2	120.4924	0.204	23	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.6014	0.463	16	120.4924	0.204	23	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[5]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]H)2(CC[5]HH){1|H<1>,1|N<3>,1|P<4>}	120.6730	0.000	1	120.6730	0.000	1	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.0920	0.000	1	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	118.9875	0.135	2	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	119.7250	0.106	2	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.3575	0.701	2	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.1353	0.469	24	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	118.0000	0.000	1	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	119.0350	0.352	2	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|P<4>}	119.9355	0.350	2	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	124.0940	0.000	1	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.2068	0.585	9	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.3129	0.708	10	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	119.6140	0.686	2	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	118.7080	0.354	4	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	119.6280	0.151	2	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.7162	0.353	11	119.9293	0.681	75	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.5586	0.388	10	120.5586	0.150	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	120.2150	0.219	2	120.2150	0.048	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	119.6305	0.798	2	120.0006	0.155	18	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.3342	0.349	4	120.0006	0.155	18	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	119.8290	0.000	1	120.0006	0.155	18	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.9621	0.294	11	120.0006	0.155	18	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	119.2950	0.455	2	119.2950	0.207	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.5855	0.583	2	119.5855	0.340	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.8090	0.308	2	120.5495	0.456	62	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.5279	0.686	57	120.5495	0.456	62	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.1755	0.357	2	120.5495	0.456	62	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	120.0060	0.000	1	120.5495	0.456	62	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	120.7860	0.000	1	120.7860	0.000	1	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	118.2998	0.570	12	118.4531	0.419	16	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	118.9133	0.723	4	118.4531	0.419	16	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	119.8630	0.167	4	119.9137	0.477	73	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	119.7105	0.019	2	119.9137	0.477	73	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	119.4634	0.591	5	119.9137	0.477	73	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	120.2948	0.244	5	119.9137	0.477	73	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.9583	0.752	53	119.9137	0.477	73	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|H<1>,2|N<3>}	119.2425	0.029	2	119.9137	0.477	73	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.8815	0.627	2	119.9137	0.477	73	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	120.0435	0.258	2	119.5556	0.154	7	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	119.4467	0.233	3	119.5556	0.154	7	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	119.2310	0.157	2	119.5556	0.154	7	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	120.0125	0.878	2	120.0125	0.770	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.0789	0.813	16	120.0789	0.662	16	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.0800	0.676	2	120.0800	0.457	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.0081	0.822	16	120.0081	0.675	16	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	120.5051	0.519	13	120.5051	0.269	13	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.1280	0.023	2	119.6429	0.748	30	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	121.5400	0.102	2	119.6429	0.748	30	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.3273	0.708	22	119.6429	0.748	30	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.1880	0.177	4	119.6429	0.748	30	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	119.5825	0.343	2	119.5825	0.118	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHP)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	119.9830	0.293	2	119.9830	0.086	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.6985	0.261	2	120.1936	0.188	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.0375	0.439	6	120.1936	0.188	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.1570	0.023	2	120.1936	0.188	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	120.6377	0.278	6	120.6377	0.077	6	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.1427	0.456	16	120.2965	0.307	27	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.5752	0.647	6	120.2965	0.307	27	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.4542	0.671	5	120.2965	0.307	27	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.5339	0.363	19	120.4686	0.167	22	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.2565	0.554	2	120.4686	0.167	22	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	119.6520	0.000	1	120.4686	0.167	22	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.2265	0.425	6	120.1115	0.826	57	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	119.2250	0.645	5	120.1115	0.826	57	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.9394	0.963	8	120.1115	0.826	57	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	119.8925	0.481	4	120.1115	0.826	57	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.5330	1.023	16	120.1115	0.826	57	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.0699	0.891	18	120.1115	0.826	57	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(CC3){1|H<1>,1|N<2>,1|N<3>}	120.5340	0.296	2	120.4020	0.898	8	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.3580	1.109	6	120.4020	0.898	8	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	120.7193	0.419	6	120.7193	0.175	6	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.4038	1.037	4	120.4038	1.075	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	120.5380	0.000	1	120.5380	0.000	1	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.6313	0.278	10	120.3801	0.170	57	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.3438	0.375	38	120.3801	0.170	57	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.2542	0.590	9	120.3801	0.170	57	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCCH){1|N<3>,2|H<1>}	120.2050	0.008	2	120.2050	0.000	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	120.3028	1.062	10	120.3028	1.128	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2O){1|N<3>,2|H<1>}	119.9860	0.904	14	119.9860	0.817	14	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCo2C)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCo2C){1|N<3>,2|H<1>}	120.2572	1.482	4	120.2572	2.195	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.2923	0.261	24	120.1232	0.677	45	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	120.0840	0.000	1	120.1232	0.677	45	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	120.6330	0.501	2	120.1232	0.677	45	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	119.4180	0.000	1	120.1232	0.677	45	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.8684	1.254	17	120.1232	0.677	45	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	119.6985	0.250	4	119.6580	0.211	9	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	119.6256	0.611	5	119.6580	0.211	9	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]2H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5]2H){1|N<3>,2|H<1>}	119.6390	0.262	2	119.6390	0.068	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	120.3289	0.719	12	120.3289	0.516	12	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	120.6200	0.000	1	120.6200	0.000	1	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.5900	0.102	2	120.6704	0.485	142	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.8344	0.584	76	120.6704	0.485	142	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	119.9063	0.557	10	120.6704	0.485	142	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.5841	0.775	54	120.6704	0.485	142	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	120.6873	0.804	4	120.3707	0.550	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	120.1597	0.684	6	120.3707	0.550	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2O){1|N<3>,2|H<1>}	120.3649	0.741	24	120.3649	0.549	24	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCo2C)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCo2C){1|N<3>,2|H<1>}	120.8872	0.674	4	120.8872	0.454	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.2935	0.315	2	120.2835	1.230	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.5443	1.412	28	120.2835	1.230	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	118.9490	0.000	1	120.2835	1.230	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.1617	0.935	21	120.2835	1.230	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	119.7470	0.281	2	120.2835	1.230	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.2322	0.153	5	120.2835	1.230	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.9335	0.599	6	120.2835	1.230	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	119.7355	0.125	2	119.7355	0.016	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CBrHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CBrHH){1|N<3>,2|H<1>}	119.5205	0.118	2	119.5205	0.014	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.9023	1.255	6	120.4179	0.716	21	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.2241	0.566	15	120.4179	0.716	21	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	120.0945	0.487	6	120.0945	0.237	6	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2C)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2C){1|N<3>,2|H<1>}	120.7405	0.286	2	120.7405	0.082	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.9985	0.383	2	120.2792	0.595	43	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.3789	0.363	10	120.2792	0.595	43	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.2651	0.883	31	120.2792	0.595	43	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	120.2880	0.435	4	119.8778	0.644	6	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	119.0575	0.795	2	119.8778	0.644	6	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	119.6460	0.042	2	119.6210	0.003	3	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	119.5710	0.000	1	119.6210	0.003	3	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHP)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	119.6875	0.180	2	119.6875	0.033	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.5366	0.650	18	120.5366	0.422	18	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.6465	0.586	2	120.2113	0.238	8	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.1568	0.370	4	120.2113	0.238	8	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.8850	0.557	2	120.2113	0.238	8	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	120.0130	0.133	2	120.0408	0.135	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	120.0685	0.620	2	120.0408	0.135	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHS){1|N<3>,2|H<1>}	120.0937	1.856	6	120.0937	3.446	6	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.5982	0.629	26	120.5982	0.396	26	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CF3){1|C<4>,1|H<1>,1|N<3>}	118.2260	0.000	1	118.2260	0.000	1	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<10>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|Ru<10>,1|H<1>,2|N<3>}	119.1550	0.687	2	120.4450	2.215	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	119.5535	0.015	2	120.4450	2.215	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.4276	0.342	18	120.4450	2.215	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	119.8465	0.139	2	120.4450	2.215	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	120.6620	0.000	1	120.4450	2.215	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|N<4>}	120.3840	0.000	1	120.4450	2.215	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.7303	2.091	30	120.4450	2.215	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	119.2590	0.000	1	120.4450	2.215	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.5085	0.103	2	120.4450	2.215	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.3595	0.800	2	120.4450	2.215	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	119.4190	0.000	2	120.4450	2.215	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.6655	0.330	2	120.4450	2.215	65	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	119.3590	0.100	2	119.6138	0.112	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	119.8685	0.258	2	119.6138	0.112	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHOO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHOO){1|C<3>,1|H<1>,1|N<3>}	119.5990	0.000	1	119.5990	0.000	1	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	120.5890	0.000	1	120.5890	0.000	1	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.3367	0.361	4	120.3367	0.130	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.9455	0.562	2	120.1693	0.271	14	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	119.6543	0.347	4	120.1693	0.271	14	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.2327	0.279	8	120.1693	0.271	14	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sm<11>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	119.7982	0.159	4	119.7982	0.025	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	119.9145	0.163	2	119.9188	0.023	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.9230	0.202	2	119.9188	0.023	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Tc)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Tc)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.2502	0.238	4	120.2502	0.057	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ti<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	120.5490	0.000	1	120.5490	0.000	1	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ti<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.4965	0.298	2	120.4965	0.089	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.4543	0.334	4	120.3694	0.360	17	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.0850	0.214	2	120.3694	0.360	17	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.3902	0.721	11	120.3694	0.360	17	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	119.7830	0.206	6	119.7830	0.043	6	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	120.0234	0.548	10	120.0234	0.300	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.6635	0.643	4	120.2386	0.367	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.6365	0.506	2	120.2386	0.367	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.1070	0.386	2	120.2386	0.367	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.1225	0.383	2	120.2386	0.367	10	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	120.0133	0.289	6	120.0133	0.083	6	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	119.7835	0.030	2	119.5885	0.093	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	119.3935	0.353	2	119.5885	0.093	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	119.4940	0.307	2	119.4940	0.094	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	119.6535	0.457	2	119.6535	0.209	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zr<12>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|Zr<12>,1|H<1>,2|N<3>}	118.9224	0.337	8	118.9224	0.114	8	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,3|S<2>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	120.9363	1.623	4	120.9363	2.635	4	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,2|S<2>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	121.3183	0.250	6	121.3183	0.063	6	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ge<6>,1|C<3>,1|H<1>}	C[6](N[6]Ge[4x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,5|N<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	120.6185	0.282	2	120.6185	0.080	2	120.2142	0.728	1390	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PO3){1|N<3>,2|H<1>}	119.7320	0.305	2	119.7320	0.093	2	119.7241	0.254	10	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|P<4>,2|C<3>}	C[6](C[6]C[6]H)2(PO3){1|C<3>,1|H<1>,1|N<3>}	119.8494	0.577	5	119.8494	0.333	5	119.7241	0.254	10	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|P<4>,2|C<3>}	C[6](C[6]C[6]H)2(PO3){1|C<3>,1|H<1>,1|N<3>}	119.5100	0.567	3	119.5100	0.322	3	119.7241	0.254	10	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SO3)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)2(SO3){1|N<3>,2|H<1>}	119.2730	0.485	2	119.2730	0.235	2	119.2730	0.235	2	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|Cu<6>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	118.6220	0.154	2	118.6220	0.024	2	118.6220	0.024	2	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|N<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|O<1>,3|N<3>}	123.5790	0.000	1	123.5790	0.000	1	123.5790	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<1>,4|C<3>}	118.6420	0.000	1	118.6420	0.000	1	118.8067	0.472	6	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|O<1>,4|C<3>}	119.3565	0.281	2	119.3565	0.079	2	118.8067	0.472	6	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	118.4245	1.153	2	118.4245	1.330	2	118.8067	0.472	6	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HN)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HN){1|O<1>,2|C<3>}	118.6360	0.000	1	118.6360	0.000	1	118.8067	0.472	6	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){2|Cl<1>,1|C<3>}	115.4740	0.000	1	115.4740	0.000	1	115.4740	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(PC3)	C[6](C[6]C[6]H)(C[6]C[6]P)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(PC3){1|C<3>,2|H<1>}	120.3370	0.000	1	120.3370	0.000	1	120.3370	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]C[6]P)(SCOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]O)(C[6]C[6]P)(SCOO){1|C<3>,2|H<1>}	115.2730	0.000	1	115.2730	0.000	1	115.2730	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]2)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|C<4>,1|O<1>}	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	120.3244	1.103	3666	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:3:5:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-5:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)2(COOWW)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(COOWW){1|N<3>,2|H<1>}	119.4175	0.161	2	119.4175	0.026	2	119.4175	0.026	2	119.4175	0.026	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C-4:C[6]-2:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){2|Br<1>,1|C<3>}	120.6140	0.000	1	120.8590	0.120	2	120.8590	0.120	2	120.8437	0.061	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C-4:C[6]-2:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){2|Br<1>,1|C<3>}	121.1040	0.000	1	120.8590	0.120	2	120.8590	0.120	2	120.8437	0.061	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:4:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C[6]-2:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(PC[6]2Mo)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(PC[6]2Mo)(C[6]C[6]){1|C<3>,2|H<1>}	120.8130	0.000	1	120.8130	0.000	1	120.8130	0.000	1	120.8437	0.061	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[5]-4:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Pd)(C[5]C[5]2Fe)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Fe<10>,1|Pd<4>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[5]C[5]2Fe)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	119.1150	0.000	1	119.1150	0.000	1	119.1150	0.000	1	119.0710	0.004	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	3:4:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](N[6]C[6,6a]Re)(C[6]N[6]2H)(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|N<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]N[6]2H)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	119.0270	0.000	1	119.0270	0.000	1	119.0270	0.000	1	119.0710	0.004	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]Br)(O){1|H<1>,6|C<3>}	122.2470	0.023	2	122.2470	0.001	2	122.1031	0.111	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(Br){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]Br)(O){1|C<4>,3|C<3>,3|H<1>}	122.0671	0.367	8	122.0671	0.135	8	122.1031	0.111	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[5,6]-4:C[6]-3:Cl-1:	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,3|C<3>}	119.8270	0.000	1	119.8270	0.000	1	119.8270	0.000	1	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]H)(F)	C[6](C[6]C[6]Ni2)(C[6]C[6]F)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(F){2|Ni<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(F){2|Ni<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Ni2)(C[6]C[6]F)(H){1|C<3>,1|F<1>}	122.4855	0.613	2	122.4855	0.376	2	122.4855	0.376	2	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](B[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]ZrH)(C[6]C[6]H)(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|Zr<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](B[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zr<15>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]ZrH)(C[6]C[6]H)(H){1|B<3>,1|H<1>}	120.1790	0.000	1	120.2095	0.002	2	120.2095	0.002	2	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](B[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]ZrH)(C[6]C[6]H)(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|Zr<15>,1|C<3>,1|H<2>,1|N<3>}	C[6](B[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zr<15>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]ZrH)(C[6]C[6]H)(H){1|B<3>,1|H<1>}	120.2400	0.000	1	120.2095	0.002	2	120.2095	0.002	2	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[6,6]H)(H)	C[6](C[3x6]Si[6,6]C[5x6])(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]C[5x6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[6,6]H)(H){1|Si<4>,1|H<1>,2|C<4>}	C[6](C[3x6]Si[6,6]C[5x6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6,6]C[5,6]C[5x6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>,3|C<3>}	120.4450	0.000	1	120.4450	0.000	1	120.4450	0.000	1	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]H)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	120.7830	0.000	1	120.7830	0.000	1	120.7830	0.000	1	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|Ru<11>,1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6a])(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	123.7940	0.000	1	123.7940	0.000	1	123.7940	0.000	1	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|H<1>}	120.3118	0.535	6	120.3118	0.286	6	121.9121	5.389	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]Ru2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<5>,1|Ru<7>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|Ru<7>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]Ru2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.8545	0.392	2	122.8545	0.154	2	121.9121	5.389	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]Os2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Os<5>,1|Os<6>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]Os2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	125.7705	0.054	2	125.7705	0.003	2	121.9121	5.389	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(H){2|C<3>,2|O<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	123.6440	0.144	2	123.6440	0.021	2	123.6440	0.021	2	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6,6]Br)(C[6]C[6]Br)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(Br)	C[6](C[6]C[6,6]DyO)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6]Br)(C[6]C[6]Br)(H){1|Dy<13>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(Br){1|Dy<13>,1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]DyO)(C[6]C[6]H)(Br){1|Br<1>,1|C<3>,1|N<3>}	120.0580	0.334	3	120.0580	0.111	3	120.0580	0.111	3	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]Ca)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|Ca<12>,1|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|Ca<12>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]Ca)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	122.9348	0.392	4	122.9348	0.154	4	122.9348	0.154	4	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]Li2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Li<4>,1|Li<5>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>,3|C<4>}	C[6](C[6]C[6,6]Li2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	119.5160	0.000	1	119.9205	0.327	2	122.5192	3.334	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]Li2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Li<4>,1|Li<5>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Li<5>,1|C<3>,1|H<1>,1|O<3>,3|C<4>}	C[6](C[6]C[6,6]Li2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	120.3250	0.000	1	119.9205	0.327	2	122.5192	3.334	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]TiO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ti<12>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<12>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]TiO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	123.7070	1.241	5	123.1689	1.828	8	122.5192	3.334	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]TiO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ti<8>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|Ti<8>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]TiO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	123.6070	0.000	1	123.1689	1.828	8	122.5192	3.334	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]TiO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ti<9>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]TiO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.6045	0.322	2	123.1689	1.828	8	122.5192	3.334	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	121.5900	0.610	2	121.5900	0.372	2	121.3793	0.319	3	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	120.9580	0.000	1	120.9580	0.000	1	121.3793	0.319	3	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]OO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|C<3>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]OO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	121.7550	0.000	1	121.7550	0.000	1	121.5170	0.329	13	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|C<4>,2|H<1>,5|C<3>}	121.6850	0.000	1	121.8660	0.065	6	121.5170	0.329	13	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|C<4>,3|H<1>,4|C<3>}	121.8960	0.000	1	121.8660	0.065	6	121.5170	0.329	13	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|H<1>,6|C<3>}	121.7627	0.153	3	121.8660	0.065	6	121.5170	0.329	13	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(O){1|Si<4>,1|H<1>,5|C<3>}	122.3270	0.000	1	121.8660	0.065	6	121.5170	0.329	13	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]O[5])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]O[5])(C[6]C[6]H)(O){1|H<1>,5|C<3>}	121.0700	0.000	1	121.0700	0.000	1	121.5170	0.329	13	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O){2|H<1>,6|C<3>}	121.0810	0.366	2	121.3080	0.452	4	121.5170	0.329	13	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(O){1|H<1>,6|C<3>}	121.5350	1.008	2	121.3080	0.452	4	121.5170	0.329	13	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]C[6]H)(O){2|C<3>,2|C<4>,4|H<1>}	120.4680	0.000	1	120.4680	0.000	1	121.5170	0.329	13	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(H){1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]H)(O){1|H<1>,4|C<3>}	118.9885	0.754	2	118.9885	0.569	2	119.9730	3.192	3	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]2C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(H){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6a]2C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,5|C<3>}	121.9420	0.000	1	121.9420	0.000	1	119.9730	3.192	3	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]AgH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]AgH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0975	0.155	2	120.0975	0.024	2	119.6550	0.199	6	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.5475	0.330	2	119.5475	0.109	2	119.6550	0.199	6	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9880	0.000	1	118.9880	0.000	1	119.6550	0.199	6	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]Li2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){2|Li<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]Li2)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6520	0.000	1	119.6520	0.000	1	119.6550	0.199	6	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	121.0120	0.000	1	121.0120	0.000	1	120.6701	0.656	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	120.6740	0.000	1	120.8863	0.049	3	120.6701	0.656	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	120.9925	0.175	2	120.8863	0.049	3	120.6701	0.656	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	121.3520	0.000	1	121.3520	0.000	1	120.6701	0.656	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)(O){2|H<1>,4|C<3>}	120.4760	0.064	2	120.4760	0.004	2	120.6701	0.656	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]ClC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|Cl<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]ClC)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	121.9470	0.000	1	121.9470	0.000	1	120.6701	0.656	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]OO)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]OO)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	119.3895	0.303	2	119.3895	0.092	2	120.6701	0.656	10	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	Si[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]Si[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](Si[6]C[6,6a]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]H)(C[6]Si[6]O)(H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|Si<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](Si[6]C[6,6a]CC)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	124.4040	0.000	1	124.4040	0.000	1	124.4040	0.000	1	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[3,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[3,6]H)(H){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3,6]C[6,6a]C[3]2)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<3>}	121.2115	0.391	2	121.2115	0.153	2	121.2115	0.153	2	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	121.0190	0.000	1	121.0190	0.000	1	122.1611	0.330	8	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,6|C<3>}	122.8330	0.016	2	122.6520	0.098	3	122.1611	0.330	8	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[6,6a]C[5])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	122.2900	0.000	1	122.6520	0.098	3	122.1611	0.330	8	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5])(C[6]C[6]H)(H){1|O<1>,5|C<3>}	122.0785	0.140	4	122.0785	0.020	4	122.1611	0.330	8	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6,6]H)(H)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6,6a]O[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6,6]H)(H){2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6,6a]O[6]O)(C[6]C[6]H)(H){1|O<1>,3|C<3>}	123.5150	0.437	2	123.5150	0.191	2	123.1530	0.489	3	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6a]2N[5a,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6,6]H)(H){1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6a]2N[5a,6])(C[6]C[6]H)(H){1|O<1>,6|C<3>}	122.4290	0.000	1	122.4290	0.000	1	123.1530	0.489	3	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]OO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){2|C<3>,2|O<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]OO)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	123.0160	0.000	1	123.0160	0.000	1	123.0160	0.000	1	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]N[6]ErN)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Er<15>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Er<15>,1|C<4>,1|H<1>}	C[6](C[6]N[6]ErN)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>}	119.4700	0.000	1	119.4700	0.000	1	119.4040	0.009	2	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl)	C[6](C[6]N[6]NY)(C[6]C[6]H)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|Y<15>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Cl){1|Y<15>,1|C<4>,1|H<1>}	C[6](C[6]N[6]NY)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>}	119.3380	0.000	1	119.3380	0.000	1	119.4040	0.009	2	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<12>,1|C<3>,2|C<4>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|Zr<12>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	121.9270	0.000	1	121.9270	0.000	1	121.3928	0.219	4	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Li)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Li<7>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Li<7>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]Li)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<5>}	120.7910	0.000	1	120.7910	0.000	1	121.3928	0.219	4	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.3640	0.000	1	121.3640	0.000	1	121.3928	0.219	4	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ni<7>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]Ni)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	121.4890	0.000	1	121.4890	0.000	1	121.3928	0.219	4	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a])(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	120.0710	0.000	1	120.0710	0.000	1	120.8705	1.278	2	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Rh<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]Rh)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.6700	0.000	1	121.6700	0.000	1	120.8705	1.278	2	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]IrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<8>,1|B<6>,1|C<3>,1|H<1>}	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[6](C[6]C[6]IrH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5760	0.000	1	120.5760	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](C[6]B[6]PtH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Pt<6>,1|B<4>,2|H<1>}	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|Pt<6>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]B[6]PtH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	121.8930	0.137	3	121.8930	0.019	3	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	119.6330	0.000	1	119.6330	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Rh<8>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.1360	0.000	1	120.1360	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<2>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	120.4040	0.000	1	120.4040	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Fe<6>,1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Fe<5>,1|Fe<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]C[6]Fe)(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	120.4230	0.096	3	120.4230	0.009	3	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]DyH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Dy<16>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|Dy<16>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]DyH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	121.0618	0.198	4	121.0618	0.039	4	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]TbH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Tb<16>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|Tb<16>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]TbH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	120.9695	0.344	4	120.9695	0.118	4	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CoC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Co<5>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Co<5>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CoC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.7310	0.000	1	120.7310	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cr<6>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<6>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CrC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2180	0.000	1	119.2180	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Dy<11>,1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Dy<11>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	120.3160	0.426	2	120.3160	0.181	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Gd<17>,1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Gd<17>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]GdO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	119.6640	0.051	2	119.6640	0.003	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]IrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<9>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]IrC)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.4020	0.000	1	121.4020	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]LiC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Li<6>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Li<6>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]LiC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2690	0.000	1	119.2690	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|U<16>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<16>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	121.0276	1.021	20	121.0276	1.042	20	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2490	0.000	1	120.3515	0.021	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Pd<6>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<6>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.4540	0.000	1	120.3515	0.021	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]RhC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Rh<9>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Rh<9>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]RhC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	120.9090	0.000	1	120.9090	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<10>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ru<10>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	120.9030	0.000	1	120.9030	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Tb<11>,1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Tb<11>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TbO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	120.9050	0.181	2	120.4820	0.342	4	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Tb<16>,1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Tb<16>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]TbO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	120.0590	0.526	2	120.4820	0.342	4	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ti<12>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<12>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	120.7597	0.311	9	120.7597	0.097	9	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Fe<6>,1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Fe<5>,1|Fe<6>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]Fe)(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	119.9875	0.359	2	119.9875	0.129	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]PdN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PdN)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.0445	0.383	2	121.0445	0.146	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]RhH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Rh<5>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Rh<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]RhH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.8540	0.000	1	121.8540	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HW)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<2>,1|W<7>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]HW)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	121.2130	0.000	1	121.2130	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]ReH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Re<7>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Re<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ReH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	121.3880	0.000	1	121.3880	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<3>,1|O<2>,1|O<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Zr<13>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.3380	0.000	1	121.3380	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]EuN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Eu<9>,1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<9>,1|C<4>,1|H<1>}	C[6](C[6]N[6]EuN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.5300	0.000	1	120.5300	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]FeO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Fe<7>,1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]FeO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.3667	0.423	3	121.3667	0.179	3	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]HfN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Hf<10>,1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hf<10>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HfN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.0870	0.000	1	120.0870	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]MoN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Mo<8>,1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<4>,1|H<1>}	C[6](C[6]N[6]MoN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.7245	0.081	2	121.7245	0.007	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]NdN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Nd<12>,1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Nd<12>,1|C<4>,1|H<1>}	C[6](C[6]N[6]NdN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.3333	0.865	3	121.3333	0.749	3	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]NiO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ni<6>,1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<4>,1|H<1>}	C[6](C[6]N[6]NiO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.5470	0.000	1	120.5470	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]OsC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Os<7>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]OsC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.7250	0.000	1	118.7250	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]RuN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.5960	0.000	1	119.5960	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]SmN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Sm<9>,1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<9>,1|C<4>,1|H<1>}	C[6](C[6]N[6]SmN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.9450	0.000	1	120.9450	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]SnN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Sn<6>,1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<4>,1|H<1>}	C[6](C[6]N[6]SnN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.9655	0.061	4	121.9655	0.004	4	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]ThC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Th<19>,1|N<4>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Th<19>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]ThC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	120.3380	0.000	1	120.3380	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]TiO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ti<8>,1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ti<8>,1|C<4>,1|H<1>}	C[6](C[6]N[6]TiO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.9100	0.367	4	120.9100	0.135	4	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]YbC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Yb<14>,1|C<4>,1|C<5>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<14>,1|C<4>,1|H<1>}	C[6](C[6]N[6]YbC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.3760	0.000	1	118.3760	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Yb<9>,1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<9>,1|C<4>,1|H<1>}	C[6](C[6]N[6]YbN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.6930	0.000	1	119.6930	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]N[6]ZrO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Zr<16>,1|C<3>,1|N<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zr<16>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]ZrO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	119.9800	0.000	1	119.9800	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	119.4910	0.000	1	119.4910	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]AlC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Al<5>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<5>,1|C<4>,1|H<1>}	C[6](C[6]N[6]AlC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.3487	0.350	3	120.3487	0.122	3	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7550	0.000	1	119.7550	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]CeO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ce<16>,1|H<1>,1|N<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ce<16>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]N[6]CeO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	119.8930	0.541	8	119.8930	0.292	8	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]CoO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Co<6>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CoO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.8420	0.000	1	119.8695	0.002	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]CoO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Co<7>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CoO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.8970	0.000	1	119.8695	0.002	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]CrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cr<8>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cr<8>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CrN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.8895	0.391	6	120.8895	0.153	6	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]CuN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cu<5>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CuN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.3960	0.000	1	120.3960	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]ErN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Er<15>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Er<15>,1|C<4>,1|H<1>}	C[6](C[6]N[6]ErN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.4863	0.550	3	121.4863	0.303	3	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]FeO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Fe<7>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]FeO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.2700	0.000	1	121.2700	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]HfN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Hf<10>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hf<10>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HfN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.1420	0.000	1	120.1420	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]IrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<7>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]IrC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.9030	0.000	1	119.9030	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]IrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<7>,1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]IrN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.1970	0.000	1	120.7945	0.324	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]IrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<7>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]IrN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.3920	0.000	1	120.7945	0.324	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]IrO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<7>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]IrO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.4790	0.000	1	121.3565	0.030	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]IrO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ir<9>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<9>,1|C<4>,1|H<1>}	C[6](C[6]N[6]IrO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.2340	0.000	1	121.3565	0.030	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]LiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Li<5>,1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<5>,1|C<4>,1|H<1>}	C[6](C[6]N[6]LiN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.5305	0.180	2	120.5305	0.033	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]MnS)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Mn<7>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]MnS)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.0050	0.000	1	121.0050	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]NW)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|W<7>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|W<7>}	C[6](C[6]N[6]NW)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.1705	1.145	2	121.1705	1.311	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]OsC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Os<10>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<10>,1|C<4>,1|H<1>}	C[6](C[6]N[6]OsC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.4010	0.000	1	119.7392	0.078	4	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]OsC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Os<8>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<8>,1|C<4>,1|H<1>}	C[6](C[6]N[6]OsC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.8520	0.203	3	119.7392	0.078	4	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]ReS)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Re<8>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<8>,1|C<4>,1|H<1>}	C[6](C[6]N[6]ReS)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.8800	0.000	1	119.8800	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]RhN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Rh<6>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RhN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.2190	0.245	2	120.2190	0.060	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]RhS)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Rh<9>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<9>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RhS)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.0185	1.102	2	121.0185	1.215	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<10>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<10>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.7875	0.401	2	120.2052	0.313	5	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<8>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.4837	0.505	3	120.2052	0.313	5	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]RuN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<6>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.5220	0.000	1	120.7668	0.243	6	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]RuN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.1020	0.000	1	120.7668	0.243	6	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]RuN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.3290	0.182	2	120.7668	0.243	6	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]RuN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.6595	0.155	2	120.7668	0.243	6	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]RuO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.1350	0.000	1	121.1350	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]SU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|U<13>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|U<13>,1|C<4>,1|H<1>}	C[6](C[6]N[6]SU)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.9560	0.312	4	119.9560	0.097	4	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]SW)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>,1|W<8>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|W<8>}	C[6](C[6]N[6]SW)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.0847	0.346	4	120.2380	0.331	6	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]SW)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>,1|W<9>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|W<9>}	C[6](C[6]N[6]SW)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.5445	1.006	2	120.2380	0.331	6	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]ScS)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Sc<13>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sc<13>,1|C<4>,1|H<1>}	C[6](C[6]N[6]ScS)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.4430	0.000	1	120.4430	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]SeW)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>,1|W<9>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|W<9>}	C[6](C[6]N[6]SeW)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.2865	0.354	2	119.2865	0.126	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]TaC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ta<10>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ta<10>,1|C<4>,1|H<1>}	C[6](C[6]N[6]TaC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.6465	0.193	2	120.6465	0.037	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]TiC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ti<10>,1|C<5>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<10>,1|C<4>,1|H<1>}	C[6](C[6]N[6]TiC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.6540	0.000	1	119.6540	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ti<7>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]TiN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.8290	0.000	1	120.6183	0.039	3	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ti<9>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<9>,1|C<4>,1|H<1>}	C[6](C[6]N[6]TiN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.5130	0.109	2	120.6183	0.039	3	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Yb<15>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Yb<15>,1|C<4>,1|H<1>}	C[6](C[6]N[6]YbN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.6350	0.000	1	120.6350	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]ZrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<14>,1|C<4>,1|H<1>}	C[6](C[6]N[6]ZrC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.2750	0.413	3	120.2750	0.171	3	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]ZrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Zr<8>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<8>,1|C<4>,1|H<1>}	C[6](C[6]N[6]ZrN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.1900	0.192	2	121.1900	0.037	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]N[6]AlN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Al<5>,1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<4>,1|H<1>}	C[6](C[6]N[6]AlN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	122.3060	0.000	1	121.9178	0.063	6	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]N[6]AlN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Al<5>,3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<4>,1|H<1>}	C[6](C[6]N[6]AlN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.8557	0.225	3	121.9178	0.063	6	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]N[6]AlN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Al<7>,1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]AlN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.8170	0.180	2	121.9178	0.063	6	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]N[6]LiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Li<5>,3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<4>,1|H<1>}	C[6](C[6]N[6]LiN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.6160	0.000	1	121.6160	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]N[6]NiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|N<4>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<4>,1|H<1>}	C[6](C[6]N[6]NiN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	122.6615	0.405	2	122.6615	0.164	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]N[6]PdN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<5>,1|C<4>,1|H<1>}	C[6](C[6]N[6]PdN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.4490	0.000	1	121.4490	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]N[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.8840	0.187	2	120.2158	0.296	5	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]N[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.7730	0.327	2	120.2158	0.296	5	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]N[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|C<5>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.7650	0.000	1	120.2158	0.296	5	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]N[6]RuO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.5210	0.000	1	121.5210	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]N[6]TaN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ta<9>,3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ta<9>,1|C<4>,1|H<1>}	C[6](C[6]N[6]TaN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.8410	0.215	2	121.8410	0.046	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]N[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Yb<14>,1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Yb<14>,1|C<4>,1|H<1>}	C[6](C[6]N[6]YbN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.5580	0.000	1	120.5580	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CuH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cu<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cu<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CuH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7020	0.000	1	119.7020	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LiNi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Li<5>,1|Ni<7>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Li<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]LiNi)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7440	0.000	1	119.7440	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ni<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0560	0.000	1	120.0560	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OsRu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Os<9>,1|Ru<9>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]OsRu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7330	0.000	1	120.7330	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8380	0.000	1	119.8380	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6]H)(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	121.1630	0.000	1	121.1630	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|P<4>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	117.7720	0.000	1	117.7720	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2Ta)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ta<10>,1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ta<10>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2Ta)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	119.0700	0.000	1	119.0700	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.8750	0.000	1	120.8750	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ni<4>,1|Ni<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	120.1740	0.000	1	120.2990	0.031	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	120.4240	0.000	1	120.2990	0.031	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]CrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cr<5>,1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cr<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]CrN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.3505	0.760	2	120.5966	0.292	7	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]CrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cr<6>,1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]CrN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.7067	0.682	3	120.5966	0.292	7	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]CrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cr<7>,1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cr<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]CrN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.6775	0.278	2	120.5966	0.292	7	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]RhN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Rh<8>,1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]RhN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.9045	0.037	2	121.0500	0.235	5	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]RhN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Rh<9>,1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<9>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]RhN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	121.1470	0.658	3	121.0500	0.235	5	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ti<7>,1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ti<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]TiN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.6625	0.672	4	120.6625	0.451	4	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]ZrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Zr<11>,1|C<3>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zr<11>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6]ZrN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.6645	0.032	2	119.6645	0.001	2	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[6]NiO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|Ni<6>,1|N<3>,1|O<2>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){1|Ni<6>,1|C<4>,1|H<1>}	C[6](C[6]N[6]NiO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.3030	0.000	1	120.3030	0.000	1	120.6565	0.690	229	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	121.9610	0.000	1	121.9610	0.000	1	121.3033	0.465	3	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Pd<4>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Pd<4>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.9745	0.531	2	120.9745	0.282	2	121.3033	0.465	3	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zr<16>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Zr<16>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	120.8155	0.100	4	120.8155	0.010	4	120.8155	0.010	4	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<2>,1|N<3>,2|H<1>}	121.4750	0.362	2	121.4750	0.131	2	121.3003	0.157	3	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|H<1>}	120.9510	0.000	1	120.9510	0.000	1	121.3003	0.157	3	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]ZrO)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Zr<16>,1|Cl<1>,1|C<4>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Zr<16>,1|Cl<1>,1|C<4>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	118.1326	0.517	8	118.1326	0.267	8	118.1326	0.267	8	120.8864	1.446	353	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[3x6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(H)	C[6](C[3x6]C[5,3x6]C[6,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[3x6]C[5,3x6]C[6,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,3|C<3>}	121.7100	0.000	1	121.7100	0.000	1	121.7100	0.000	1	120.8932	2.076	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(OC)	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(H){2|C<3>,2|O<2>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|O<2>}	C[6](C[6]C[5a,6]OO)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	123.0990	0.000	1	123.0990	0.000	1	123.0990	0.000	1	120.8932	2.076	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(NC)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]N)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6]C[6]H)(NC){1|H<1>,6|C<3>}	121.5810	0.000	1	121.5810	0.000	1	121.5810	0.000	1	120.8932	2.076	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]RuO)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ru<7>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<7>,1|C<4>,1|O<2>}	C[6](C[6]N[6]RuO)(C[6]C[6]H)(OC){1|C<3>,1|H<1>}	120.2980	0.061	2	120.2980	0.004	2	119.6917	0.517	4	120.8932	2.076	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HW)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|W<7>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<2>,1|W<7>}	C[6](C[6]C[6]HW)(C[6]C[6]H)(OC){1|C<3>,2|H<1>}	119.2830	0.000	1	119.2830	0.000	1	119.6917	0.517	4	120.8932	2.076	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ReH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Re<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Re<7>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ReH)(C[6]C[6]H)(OC){1|C<3>,2|H<1>}	118.8880	0.000	1	118.8880	0.000	1	119.6917	0.517	4	120.8932	2.076	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:I-1:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(I)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]I)(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(I){2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]I)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]I)(OC){1|C<3>,1|C<4>,1|H<1>}	121.9890	0.000	1	121.9890	0.000	1	121.9890	0.000	1	120.8932	2.076	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Co)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Co<6>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Co)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	118.6300	0.000	1	118.6300	0.000	1	118.8723	0.045	3	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Ni)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Ni<6>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Ni)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	119.0230	0.000	1	119.0230	0.000	1	118.8723	0.045	3	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Zn)(C[6]C[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Zn<5>,1|H<1>,1|N<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]N[5]O[5]H)(N[6]C[6,6a]Zn)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	118.9640	0.000	1	118.9640	0.000	1	118.8723	0.045	3	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6,6a]H)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a]Pd)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6a]H)(C[6]C[6]N)(H){1|Pd<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]C[6a]Pd)(C[6]C[6]H)(NCC){1|H<1>,4|C<3>}	121.6330	0.000	1	121.6330	0.000	1	121.6330	0.000	1	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:B-3:	C[6](C[6]C[6,6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[6,6]B)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(BC[6a]2){3|C<3>,3|H<1>}	124.7170	0.000	1	124.7170	0.000	1	124.7170	0.000	1	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]B)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC)	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6]B)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(NCC){2|H<1>,4|C<3>}	119.8970	0.000	1	119.8970	0.000	1	119.8970	0.000	1	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]O[6])(C[6]C[6]H)(H)	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5]O[6])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[6](C[6]O[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	119.4057	0.353	3	119.4057	0.125	3	120.6642	0.782	13	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCS)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCS){1|C<3>,2|H<1>}	122.2620	0.000	1	122.2620	0.000	1	120.6642	0.782	13	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO){1|C<3>,3|H<1>}	120.7310	0.000	1	120.7310	0.000	1	120.6642	0.782	13	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|C<4>,1|H<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]IrH)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	121.3370	0.000	1	121.3370	0.000	1	120.6642	0.782	13	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]LaO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<18>,1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<18>,1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]LaO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	120.8273	0.447	6	120.8273	0.199	6	120.6642	0.782	13	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<14>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<14>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	121.1230	0.000	1	121.1230	0.000	1	120.6642	0.782	13	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](PC[6a]2Pt)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|P<4>}	C[6](PC[6a]2Pt)(C[6]C[6]H)2{1|C<3>,1|H<1>}	120.9475	0.207	2	120.9475	0.043	2	120.9475	0.043	2	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](CC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](CC[6a]2C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>}	119.8803	0.363	12	119.8803	0.132	12	119.8803	0.132	12	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|U<12>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|U<12>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,1|O<2>}	121.5132	0.951	4	121.3656	0.788	5	121.2030	0.504	8	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|U<14>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|U<14>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,1|O<2>}	120.7750	0.000	1	121.3656	0.788	5	121.2030	0.504	8	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Yb<14>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|Yb<14>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,1|O<2>}	120.9320	0.108	3	120.9320	0.012	3	121.2030	0.504	8	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](CC[6a]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<2>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](CC[6a]C[6]O)(C[6]C[6]H)2{1|H<1>,1|N<3>}	119.9150	0.000	1	119.9150	0.000	1	119.9150	0.000	1	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:N-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(N)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(N){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	120.4310	0.000	1	120.4310	0.000	1	120.4310	0.000	1	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCC)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]O)(CCC){1|C<3>,1|H<1>,2|C<4>}	114.9810	0.000	1	114.9810	0.000	1	114.9810	0.000	1	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CCO){3|C<3>,3|H<1>}	120.4440	0.000	1	120.4440	0.000	1	119.0795	3.724	2	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]O)(CHN){3|C<3>,3|H<1>}	117.7150	0.000	1	117.7150	0.000	1	119.0795	3.724	2	120.3275	1.964	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-4:	C[6](C[6]C[6,6]H)(C[6]C[6]S)(H)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO)	C[6](C[6]C[6,6]H)(C[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|S<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(SC[6a]OO){1|C<3>,1|C<4>,2|H<1>}	120.4975	0.657	2	120.4975	0.432	2	120.4975	0.432	2	120.8746	0.450	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]Li2)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|Li<3>,1|Li<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]Li2)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	120.7875	0.453	2	120.7875	0.205	2	120.7875	0.205	2	120.8746	0.450	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]LaH)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<13>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|La<13>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]LaH)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	120.8746	0.450	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	5:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]OYY)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|Y<14>,1|O<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]OYY)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.3470	0.000	1	120.3470	0.000	1	120.6845	0.228	2	120.2632	0.619	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	5:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]Yb2O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|Yb<14>,1|O<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]Yb2O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.0220	0.000	1	121.0220	0.000	1	120.6845	0.228	2	120.2632	0.619	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	5:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6]Ru3)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){3|Ru<9>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){2|Ru<9>,1|C<5>,1|H<1>}	C[6](C[6]N[6]Ru3)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.5200	0.000	1	120.5200	0.000	1	119.8420	0.919	2	120.2632	0.619	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:1:	5:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]Li3)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Li<3>,1|Si<4>,2|Li<5>,1|C<5>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){2|Li<5>,1|C<5>,1|H<1>,1|S<3>}	C[6](C[6]C[6]Li3)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	119.1640	0.000	1	119.1640	0.000	1	119.8420	0.919	2	120.2632	0.619	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]O[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OCo)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]O)(C[6]O[6]C)(H){2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OCo){1|C<2>,1|C<4>,3|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|O<2>}	123.4760	0.000	1	123.4760	0.000	1	123.4760	0.000	1	123.1763	0.086	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	2:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OLi)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]O)(C[6]O[6]C)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OLi){1|C<3>,1|C<4>,3|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){1|C<3>,2|O<2>}	123.0265	0.192	2	123.0265	0.037	2	123.0265	0.037	2	123.1763	0.086	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-2:O-1:	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(O)	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(H){3|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]C[6]){1|C<2>,1|C<3>,1|C<4>,1|O<1>,1|S<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(O){1|C<3>,1|C<4>,1|O<2>}	121.6570	0.000	1	121.6570	0.000	1	121.6570	0.000	1	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	117.4050	0.000	1	117.4050	0.000	1	117.4050	0.000	1	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(OC){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|O<2>}	119.4100	0.000	1	119.4100	0.000	1	120.9795	4.927	2	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|O<2>}	122.5490	0.000	1	122.5490	0.000	1	120.9795	4.927	2	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OAl)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OAl){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	118.4700	0.712	8	118.4700	0.507	8	118.9454	0.780	17	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OCu)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OCu){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	120.1490	0.000	1	120.1490	0.000	1	118.9454	0.780	17	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	119.4557	0.231	3	119.4557	0.053	3	118.9454	0.780	17	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	118.7110	0.000	1	118.7110	0.000	1	118.9454	0.780	17	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(ONi)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(ONi){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	119.7760	0.000	1	119.7760	0.000	1	118.9454	0.780	17	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OSn)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OSn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	119.1030	1.408	3	119.1030	1.982	3	118.9454	0.780	17	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SCo)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SCo){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	119.6965	1.042	2	119.6965	1.085	2	119.7637	0.368	19	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SCu)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SCu){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	119.2780	0.000	1	119.2780	0.000	1	119.7637	0.368	19	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SFe)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SFe){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	119.8970	0.348	6	119.8970	0.121	6	119.7637	0.368	19	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SMo)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SMo){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	119.3498	0.324	4	119.3498	0.105	4	119.7637	0.368	19	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SNi)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SNi){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	119.2685	0.416	2	119.2685	0.173	2	119.7637	0.368	19	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	119.7430	0.000	1	119.7430	0.000	1	119.7637	0.368	19	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	120.5927	0.654	3	120.5927	0.427	3	119.7637	0.368	19	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:S[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]S[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]H)(S[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]S[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(S[6]C[6])(H){1|S<2>,2|C<3>}	124.7150	0.000	1	124.8600	0.042	2	124.7675	0.037	4	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:S[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]S[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]H)(S[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]S[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(S[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	125.0050	0.000	1	124.8600	0.042	2	124.7675	0.037	4	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:S[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]S[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn)	C[6](C[6]C[6]H)(S[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]S[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(S[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	124.6750	0.187	2	124.6750	0.035	2	124.7675	0.037	4	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Se-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]Se)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeCu)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]Se)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SeCu){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|Se<2>,1|C<3>,1|C<4>}	119.9440	0.000	1	119.9440	0.000	1	119.8355	0.395	6	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Se-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]Se)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeFe)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]Se)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SeFe){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|Se<2>,1|C<3>,1|C<4>}	119.7300	0.000	1	119.7300	0.000	1	119.8355	0.395	6	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Se-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]Se)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeNi)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]Se)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SeNi){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|Se<2>,1|C<3>,1|C<4>}	119.1700	0.346	2	119.1700	0.120	2	119.8355	0.395	6	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Se-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]Se)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeZn)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]Se)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SeZn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|Se<2>,1|C<3>,1|C<4>}	120.4995	0.252	2	120.4995	0.064	2	119.8355	0.395	6	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|N<3>,2|S<2>}	117.7460	0.288	2	117.7460	0.083	2	117.7460	0.083	2	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<2>,1|C<3>,1|H<1>}	119.8665	0.134	2	119.8665	0.018	2	119.8665	0.018	2	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	P-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>}	C[6](PC[6a]C[6])(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|P<3>}	119.4820	0.000	1	119.4820	0.000	1	119.4820	0.000	1	119.8435	2.922	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-2:O-2:	C[6](C[6]N[6]O)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	C[6](C[6]C[6]H)(N[6]C[6])(OC)	C[6](C[6]N[6]O)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6])(OC){1|O<2>,2|N<3>}	115.8851	0.316	20	115.8660	0.103	21	115.8660	0.103	21	116.1893	1.261	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-2:O-2:	C[6](C[6]N[6]O)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	C[6](C[6]C[6]H)(N[6]C[6])(OC)	C[6](C[6]N[6]O)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|N<2>,1|O<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(OC){1|N<3>,1|O<2>,1|S<2>}	115.4850	0.000	1	115.8660	0.103	21	115.8660	0.103	21	116.1893	1.261	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:O-2:	C[6](C[6]C[6a]O[6])(C[6]O[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6]H)(O[6]B[6])(OC)	C[6](C[6]C[6a]O[6])(C[6]O[6]O)(H){1|B<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){2|C<3>,2|F<1>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)(O[6]B[6])(OC){1|C<3>,1|O<2>,2|F<1>}	120.0560	0.000	1	120.0560	0.000	1	120.0560	0.000	1	116.1893	1.261	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:S-2:	C[6](C[6]C[6a]O[6])(C[6]O[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6]H)(O[6]B[6])(SC)	C[6](C[6]C[6a]O[6])(C[6]O[6]S)(H){1|B<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6]H)(O[6]B[6])(SC){1|C<3>,1|O<2>,2|F<1>}	119.1110	0.000	1	119.1110	0.000	1	119.1110	0.000	1	116.1893	1.261	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6a]-3:S[6]-2:C[6]-3:	C[6](C[6]C[6a]S[6])(C[6]C[6,6a]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6a]S[6])(C[6]C[6,6a]N)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6a]C[6a]2)(S[6]C[6,6a])(C[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	127.1100	0.000	1	127.1100	0.000	1	127.1100	0.000	1	124.0115	19.201	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6a]O[6])(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6]H)(O[6]B[6])(CCH)	C[6](C[6]C[6a]O[6])(C[6]O[6]C)(H){1|B<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]B[6])(CCH){1|C<3>,1|O<2>,2|F<1>}	120.9130	0.000	1	120.9130	0.000	1	120.9130	0.000	1	124.0115	19.201	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[5a]O[6])(C[6]O[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	C[6](C[6]C[5a]O[6])(C[6]O[6]C)(H){1|B<4>,1|C<3>,1|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<3>,1|O<2>,2|F<1>}	119.6750	0.000	1	119.6750	0.000	1	119.6750	0.000	1	120.2483	1.254	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRh)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]O[6]C)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRh){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|S<2>,2|C<3>}	120.1580	0.000	1	120.1580	0.000	1	120.5178	0.717	4	120.2483	1.254	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]O[6]C)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|S<2>,2|C<3>}	120.0690	0.194	2	120.0690	0.038	2	120.5178	0.717	4	120.2483	1.254	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]O[6]C)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	121.7750	0.000	1	121.7750	0.000	1	120.5178	0.717	4	120.2483	1.254	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]N[6])(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6a]N[6])(C[6]O[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,1|N<2>,2|C<3>}	118.1020	0.000	1	118.1020	0.000	1	118.1020	0.000	1	120.2483	1.254	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]O[6])(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	C[6](C[6]C[6a]O[6])(C[6]O[6]C)(H){1|B<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|O<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<3>,1|O<2>,2|F<1>}	120.7957	0.937	3	120.7957	0.878	3	120.7957	0.878	3	120.2483	1.254	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(OFe)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Br)(OFe){1|Br<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(Br){1|O<2>,2|C<3>}	122.5780	0.000	1	122.5780	0.000	1	122.5780	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(Br)	C[6](C[6]N[5,6]C[6])(C[6]C[6]Br)(N[6]C[6])	C[6](C[6]C[6]Br)(N[6]C[6]Zn)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(Br){1|Zn<4>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]C[6])(C[6]C[6]Br)(N[6]C[6]){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]Zn)(H){1|C<3>,1|H<1>,1|N<2>}	118.0820	0.000	1	118.0820	0.000	1	118.0820	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	124.0400	0.175	2	124.0400	0.031	2	121.4803	1.535	37	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	121.8890	0.000	1	121.8890	0.000	1	121.4803	1.535	37	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]O)2(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)2(O){1|Br<1>,1|C<3>,1|O<2>}	123.2150	0.000	1	122.5747	0.509	3	121.4803	1.535	37	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[6]O)2(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)2(O){1|C<3>,2|O<2>}	122.2545	0.634	2	122.5747	0.509	3	121.4803	1.535	37	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	121.7595	0.984	13	121.1960	1.161	31	121.4803	1.535	37	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Br){1|C<3>,2|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	120.7891	0.974	18	121.1960	1.161	31	121.4803	1.535	37	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(OH)	C[6](C[6]C[6]Br)(N[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(Br){1|N<2>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]N[6]H)(OH){1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]N[6]H)(H){1|C<3>,1|O<2>}	118.5600	0.000	1	118.5600	0.000	1	118.5600	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|N<2>}	120.2570	0.891	2	120.2570	0.794	2	120.6510	0.863	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)2(H){1|H<1>,1|N<2>,1|N<3>}	121.4390	0.000	1	121.4390	0.000	1	120.6510	0.863	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OIr)	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OIr){1|O<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O){1|O<2>,2|C<3>}	124.0380	0.000	1	124.0380	0.000	1	123.9797	0.053	4	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OOs)	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(OOs){1|O<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O){1|O<2>,2|C<3>}	124.2230	0.000	1	124.2230	0.000	1	123.9797	0.053	4	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORh)	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORh){1|O<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O){1|O<2>,2|C<3>}	123.9880	0.000	1	123.9880	0.000	1	123.9797	0.053	4	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORu)	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]Cl)(ORu){1|O<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]Cl)(O){1|O<2>,2|C<3>}	123.6700	0.000	1	123.6700	0.000	1	123.9797	0.053	4	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH){1|Cl<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	121.0400	0.000	1	121.2765	0.112	2	121.5225	0.265	6	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<4>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH){1|Cl<1>,1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	121.5130	0.000	1	121.2765	0.112	2	121.5225	0.265	6	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OLi)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OLi){1|Cl<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	122.1315	0.039	2	122.1315	0.002	2	121.5225	0.265	6	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)2(Cl){1|Cl<1>,1|C<3>,1|O<2>}	120.9540	0.000	1	120.9540	0.000	1	121.5225	0.265	6	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(OH)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(OH){1|Cl<1>,1|C<3>,1|S<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<2>,1|S<3>}	121.3650	0.000	1	121.3650	0.000	1	121.5225	0.265	6	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OBe)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OBe){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	120.3425	0.193	4	120.3425	0.037	4	121.1951	0.799	171	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	122.2790	0.000	1	122.2790	0.000	1	121.1951	0.799	171	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|O<2>}	122.8840	0.000	1	122.8840	0.000	1	121.1951	0.799	171	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	122.9900	0.000	1	122.9900	0.000	1	121.1951	0.799	171	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,2|O<2>}	123.8970	0.082	2	123.3590	0.872	3	121.1951	0.799	171	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|O<2>}	122.2830	0.000	1	123.3590	0.872	3	121.1951	0.799	171	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OCu)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OCu){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	122.1402	0.659	6	122.1402	0.434	6	121.1951	0.799	171	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OFe){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	121.4705	0.773	16	121.4705	0.597	16	121.1951	0.799	171	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	121.6620	0.666	59	121.0449	0.624	137	121.1951	0.799	171	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl){1|C<3>,2|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	120.5782	0.506	78	121.0449	0.624	137	121.1951	0.799	171	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(ONi)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(ONi){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	122.6175	0.127	2	122.6175	0.016	2	121.1951	0.799	171	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)2(H){1|H<1>,1|N<2>,1|N<3>}	121.0150	0.000	1	121.0150	0.000	1	121.0150	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6])	C[6](C[6]C[6]F)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(F){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]N)(O){1|C<3>,1|F<1>,1|N<2>}	124.4790	0.000	1	124.4790	0.000	1	124.4790	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(OH)	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(F){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]F)(C[6]C[6]O)(OH){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<2>}	123.4223	0.334	3	123.5270	0.220	5	123.5270	0.220	5	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(OH)	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(F){1|C<3>,2|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(OH){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<2>}	123.6840	0.758	2	123.5270	0.220	5	123.5270	0.220	5	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>}	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	123.4300	0.000	1	123.4300	0.000	1	121.8540	4.968	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](CC[5a]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	120.2780	0.000	1	120.2780	0.000	1	121.8540	4.968	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]2)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	119.5690	0.000	1	119.5690	0.000	1	119.5690	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]N[6])	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]N[6]){1|C<2>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	118.8890	0.000	1	118.8890	0.000	1	118.8890	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]O[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]O[6])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)(O[6]C[6]){1|C<3>,1|C<4>,1|O<2>,2|O<1>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	120.0150	0.277	3	120.0150	0.077	3	120.0150	0.077	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC[6a])	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(OC[6a]){1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	120.4660	0.262	2	120.4660	0.068	2	120.4660	0.068	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	119.2840	0.000	1	119.2840	0.000	1	120.7347	2.738	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(C[6]C[6]){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	120.3830	0.000	1	120.3830	0.000	1	120.7347	2.738	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<2>,2|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<3>}	122.5370	0.000	1	122.5370	0.000	1	120.7347	2.738	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	119.8320	0.000	1	119.8320	0.000	1	119.1225	1.007	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>}	118.4130	0.000	1	118.4130	0.000	1	119.1225	1.007	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OC){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	121.0690	0.000	1	121.0690	0.000	1	120.2233	0.707	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OC)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OC){1|B<4>,1|H<1>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|O<2>}	119.1765	0.566	2	119.1765	0.321	2	120.2233	0.707	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OMn)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OMn){1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	120.5620	0.000	1	120.5620	0.000	1	120.2233	0.707	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(ONi)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(ONi){1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	120.4340	0.757	2	120.4340	0.572	2	120.2233	0.707	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OZn)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OZn){1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	120.7110	0.000	1	120.7110	0.000	1	120.2233	0.707	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(OC[6a])	C[6](C[6]C[6,6]O)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]H)(OC[6a]){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	119.9330	0.000	1	119.9330	0.000	1	120.0603	0.022	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|O<2>,2|O<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	120.0250	0.000	1	120.0250	0.000	1	120.0603	0.022	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(OC){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	120.2230	0.000	1	120.2230	0.000	1	120.0603	0.022	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Ag<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(H){1|C<2>,2|C<3>}	119.3010	0.851	2	119.3010	0.725	2	119.3010	0.725	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|C<3>,2|N<2>}	122.1600	0.000	1	122.2150	0.006	2	122.2150	0.006	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	122.2700	0.000	1	122.2150	0.006	2	122.2150	0.006	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	121.1005	0.081	2	121.1005	0.007	2	121.1005	0.007	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|N<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|O<2>}	121.1330	0.000	1	121.1330	0.000	1	121.0200	0.026	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	120.9070	0.000	1	120.9070	0.000	1	121.0200	0.026	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6a])	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6a]){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	118.4440	0.000	1	118.4440	0.000	1	118.7728	1.820	4	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	118.3035	1.818	2	118.3035	3.305	2	118.7728	1.820	4	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(OC[6a])	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(OC[6a]){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	120.0400	0.000	1	120.0400	0.000	1	118.7728	1.820	4	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]S)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]S)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC[6a]){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|S<2>,2|C<3>}	122.2823	0.426	3	122.2823	0.182	3	122.2823	0.182	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:S-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SC){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|S<2>,2|C<3>}	121.8220	0.000	1	121.8220	0.000	1	121.8220	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:As-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<3>,1|C<2>}	120.0560	0.000	1	120.2020	0.043	2	120.2020	0.043	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:As-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(AsC[6a]O)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|As<3>,1|C<2>,1|H<1>}	120.3480	0.000	1	120.2020	0.043	2	120.2020	0.043	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CC){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<2>,1|C<3>}	119.8140	0.546	2	119.8140	0.298	2	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ag<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<2>,1|C<3>}	118.9797	0.146	3	119.4004	0.824	33	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	119.7125	0.670	2	119.4004	0.824	33	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Cd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<2>,1|C<3>}	119.8820	0.000	1	119.4004	0.824	33	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<2>,1|C<3>}	119.2700	0.000	1	119.4004	0.824	33	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<2>,1|C<3>}	118.9115	0.637	2	119.4004	0.824	33	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<2>,1|C<3>}	119.6807	1.100	16	119.4004	0.824	33	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<2>,1|C<3>}	118.9846	0.743	7	119.4004	0.824	33	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<2>,1|C<3>}	119.0920	0.000	1	119.4004	0.824	33	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<2>,1|C<3>}	118.5035	0.077	2	118.4602	0.101	9	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<2>,1|C<3>}	118.3730	0.339	5	118.4602	0.101	9	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<2>,1|C<3>}	118.6350	0.494	2	118.4602	0.101	9	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	118.3292	0.324	6	118.2038	0.341	22	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<2>,1|C<3>}	118.1455	0.672	2	118.2038	0.341	22	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>}	118.6170	0.000	1	118.2038	0.341	22	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<2>,1|C<3>}	118.4016	0.203	5	118.2038	0.341	22	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<2>,1|C<3>}	117.7832	0.934	6	118.2038	0.341	22	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<2>,1|C<3>}	118.4470	0.099	2	118.2038	0.341	22	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CO){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<2>,1|C<3>}	118.5880	0.000	1	118.5880	0.000	1	118.8814	0.864	67	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Se<2>,1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]Se[6]C[6])(C[6]C[6]H)(C[6]C[6]){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|H<1>}	121.1930	0.000	1	121.1930	0.000	1	121.1930	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<2>,1|C<3>,1|H<1>}	120.7070	0.000	1	120.7070	0.000	1	120.3053	0.451	4	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	120.5640	0.461	2	120.1713	0.569	3	120.3053	0.451	4	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	119.3860	0.000	1	120.1713	0.569	3	120.3053	0.451	4	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NN)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|N<2>}	119.5960	0.000	1	119.5960	0.000	1	119.5960	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	122.6065	0.598	4	122.6065	0.357	4	120.0608	4.891	11	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	118.9165	0.906	2	118.2524	1.143	5	120.0608	4.891	11	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|N<2>}	118.3805	0.571	2	118.2524	1.143	5	120.0608	4.891	11	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|N<2>}	116.6680	0.000	1	118.2524	1.143	5	120.0608	4.891	11	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	119.0780	0.000	1	119.0780	0.000	1	120.0608	4.891	11	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|N<2>}	119.9030	0.000	1	119.9030	0.000	1	120.0608	4.891	11	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Br<1>,2|C<3>}	C[6](C[6]C[6]H)2(Br){1|O<2>,2|C<3>}	119.3105	0.183	2	119.3105	0.034	2	119.3105	0.034	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>}	122.2270	0.000	1	122.2270	0.000	1	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<1>,1|O<2>}	114.8640	0.000	1	114.8640	0.000	1	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<2>}	121.9655	0.555	2	121.9655	0.308	2	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(ONi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(ONi){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<2>}	121.0645	0.531	2	121.0645	0.282	2	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<2>}	121.6630	0.000	1	121.6630	0.000	1	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	119.2390	0.000	1	119.2390	0.000	1	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<1>,1|O<2>}	119.5905	0.019	2	119.5905	0.000	2	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	120.8944	0.714	14	120.8944	0.509	14	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	119.3200	0.000	1	119.3200	0.000	1	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	121.0818	0.532	18	121.0818	0.283	18	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OC){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|O<2>}	118.3780	0.836	6	118.5516	0.794	7	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|O<2>}	119.5930	0.000	1	118.5516	0.794	7	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|O<2>}	120.1080	0.000	1	120.1840	0.020	3	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|O<2>}	120.2220	0.175	2	120.1840	0.020	3	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Bi<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Bi<6>,1|C<3>,1|O<2>}	120.1270	0.264	2	119.4966	0.752	12	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|O<2>}	119.3100	1.215	2	119.4966	0.752	12	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|O<2>}	119.8810	0.000	1	119.4966	0.752	12	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|O<2>}	119.9590	0.000	1	119.4966	0.752	12	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|O<2>}	118.2210	0.000	1	119.4966	0.752	12	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Sn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|O<2>}	119.3550	0.000	1	119.4966	0.752	12	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|O<2>}	119.5413	1.350	3	119.4966	0.752	12	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	119.0450	0.000	1	119.4966	0.752	12	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|O<2>}	118.4280	0.552	6	118.4280	0.304	6	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|O<2>}	118.4095	0.047	2	118.4095	0.002	2	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|O<2>}	117.0200	0.421	2	117.5388	0.271	5	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|O<2>}	117.9370	0.000	1	117.5388	0.271	5	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|O<2>}	117.8585	0.056	2	117.5388	0.271	5	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|O<2>}	118.6857	0.429	3	118.6857	0.184	3	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.9495	0.428	11	118.8481	0.151	21	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|O<2>}	118.6920	0.000	1	118.8481	0.151	21	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|O<2>}	118.7070	0.110	2	118.8481	0.151	21	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|O<2>}	118.3190	0.000	1	118.8481	0.151	21	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	119.2760	0.000	1	118.8481	0.151	21	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|O<2>}	118.9390	0.000	1	118.8481	0.151	21	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|O<2>}	118.6500	0.286	2	118.8481	0.151	21	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|O<2>}	119.1160	0.000	1	118.8481	0.151	21	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|O<2>}	118.3110	0.000	1	118.8481	0.151	21	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(OC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	118.9820	0.000	1	118.9820	0.000	1	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(OIr)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(OIr){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|O<2>}	118.5160	0.872	3	118.5160	0.761	3	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(OMo)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(OMo){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	119.1820	1.047	2	119.1820	1.095	2	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(ORh)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(ORh){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|O<2>}	119.1602	0.898	6	119.1602	0.807	6	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(OCu)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(OCu){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	120.3280	0.191	2	120.3280	0.036	2	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(OZn)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(OZn){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	121.4820	0.484	3	121.4820	0.234	3	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<2>}	117.3915	1.015	2	117.3915	1.030	2	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OP[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(OP[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<2>}	119.4550	0.000	1	119.4550	0.000	1	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OC){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|O<2>}	119.1094	0.938	10	119.1094	0.880	10	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OH){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|O<2>}	120.3907	0.147	4	120.2303	0.426	6	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OH){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|O<2>}	119.9095	1.324	2	120.2303	0.426	6	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OOs)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OOs){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|O<2>}	119.7665	0.409	2	119.7665	0.168	2	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OP[6])	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OP[6]){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|O<2>}	118.0940	0.467	2	118.0940	0.218	2	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Zr)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Zr<13>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Zr)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<3>,1|O<2>,1|O<3>}	119.5260	0.000	1	119.5260	0.000	1	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OC){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|O<2>}	119.0960	0.000	1	119.0960	0.000	1	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|O<2>}	121.3920	0.000	1	121.0337	0.620	6	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH){1|Os<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|O<2>}	119.7150	0.000	1	121.0337	0.620	6	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|O<2>}	121.9250	0.000	1	121.0337	0.620	6	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|O<2>}	120.7940	0.000	1	121.0337	0.620	6	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|O<2>}	120.7800	0.000	1	121.0337	0.620	6	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|O<2>}	121.5960	0.000	1	121.0337	0.620	6	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	119.4580	0.000	1	119.4580	0.000	1	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	119.2430	0.000	1	119.2430	0.000	1	119.6367	1.784	152	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	121.1867	1.239	3	121.1867	1.536	3	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>}	119.5020	0.000	1	120.4010	0.271	8	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	120.4998	0.433	6	120.4010	0.271	8	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	120.7070	0.000	1	120.4010	0.271	8	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|O<2>}	120.3720	0.000	1	120.3720	0.000	1	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OCu)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OCu){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	123.0820	0.000	1	123.0820	0.000	1	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	120.6360	0.000	1	120.6360	0.000	1	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(ONi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	121.8950	0.000	1	122.1557	0.152	3	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(ONi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	122.2860	0.450	2	122.1557	0.152	3	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OPd)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OPd){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	122.1183	1.445	3	122.1183	2.087	3	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OPt)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OPt){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	125.0820	0.069	2	125.0820	0.005	2	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	120.7280	0.069	2	120.9930	0.213	3	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	121.5230	0.000	1	120.9930	0.213	3	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	120.8888	0.612	6	120.8888	0.375	6	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	120.4183	0.385	3	120.4183	0.148	3	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(ONi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	121.3660	0.962	2	121.3660	0.925	2	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OSi)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OSi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	121.3740	0.000	1	121.3740	0.000	1	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|O<2>}	118.7143	0.746	3	118.7143	0.557	3	121.0915	2.047	40	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	119.7570	0.503	3	119.7570	0.253	3	119.2133	0.748	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OZn)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OZn){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	120.1180	0.000	1	120.1180	0.000	1	119.2133	0.748	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC[6a])	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<2>,2|C<3>}	118.3680	0.256	3	118.3680	0.065	3	119.2133	0.748	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(SOs)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SOs){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|S<2>}	119.6585	1.893	4	119.6585	3.585	4	119.9840	1.868	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SC[6a])	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(SC[6a]){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|S<2>}	119.7470	0.453	2	119.7470	0.205	2	119.9840	1.868	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SC[6,6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(SC[6,6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|S<2>}	120.8900	0.000	1	120.8900	0.000	1	119.9840	1.868	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SPd)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(SPd){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|S<2>}	120.8540	0.000	1	120.8540	0.000	1	119.9840	1.868	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(SC)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(SC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|S<2>}	121.4700	0.000	1	121.4700	0.000	1	121.9128	0.313	6	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SC)	C[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,1|H<1>,1|S<2>}	121.4770	0.000	1	121.4770	0.000	1	121.9128	0.313	6	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(SCu)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SCu){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|S<2>}	122.5610	0.182	2	122.5610	0.033	2	121.9128	0.313	6	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(SNi)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SNi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|S<2>}	121.7040	0.468	2	121.7040	0.219	2	121.9128	0.313	6	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SFe)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SFe){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	120.2410	0.000	1	120.2410	0.000	1	120.5066	0.221	13	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SIr)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SIr){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	121.2140	0.000	1	121.2140	0.000	1	120.5066	0.221	13	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SNi)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SNi){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	119.8905	0.243	2	119.8905	0.059	2	120.5066	0.221	13	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SPb)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SPb){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	121.3880	0.000	1	121.3880	0.000	1	120.5066	0.221	13	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRh)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRh){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	120.4225	0.296	4	120.4225	0.087	4	120.5066	0.221	13	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	120.4180	0.000	2	120.4180	0.000	2	120.5066	0.221	13	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<2>}	120.7180	0.307	2	120.7180	0.094	2	120.5066	0.221	13	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SeC[6a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(SeC[6a]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|C<3>}	120.5975	1.653	2	120.5975	2.731	2	120.5975	2.731	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[4]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[4])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[4]C[4]2)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[4])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(N[4]C[4]2)(C[6]C[6]){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|N<3>}	120.7340	0.000	1	120.7340	0.000	1	120.7340	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	120.6350	0.963	2	120.6350	0.928	2	119.6429	1.094	19	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	118.8403	0.455	6	118.8403	0.207	6	119.6429	1.094	19	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CW)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CW){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<2>}	121.1123	0.299	4	121.1123	0.089	4	119.6429	1.094	19	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<2>}	119.0395	0.341	4	119.0945	0.226	6	119.6429	1.094	19	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	119.2045	0.862	2	119.0945	0.226	6	119.6429	1.094	19	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CW)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CW){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	119.8880	0.000	1	119.8880	0.000	1	119.6429	1.094	19	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(C[6]C[6]){1|Br<1>,1|H<1>,1|N<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<2>,1|N<3>}	119.0510	0.000	1	119.0510	0.000	1	119.0510	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NSi){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	119.3915	0.269	2	119.3915	0.073	2	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	121.2047	0.460	10	121.2047	0.212	10	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	121.1160	0.296	2	121.1160	0.087	2	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	119.4045	0.165	2	119.4045	0.027	2	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.8250	0.445	2	118.8250	0.198	2	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	118.7435	0.214	2	118.7435	0.046	2	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.7170	0.000	1	119.7170	0.000	1	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|N<3>,2|N<2>}	120.0555	0.511	2	120.0555	0.261	2	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	118.8045	0.175	2	118.8690	0.327	7	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	118.4293	0.373	3	118.8690	0.327	7	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.5930	0.137	2	118.8690	0.327	7	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.2003	0.456	3	119.2003	0.208	3	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.7320	0.000	1	119.7320	0.000	1	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NP[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NP[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	120.4590	0.000	1	120.4590	0.000	1	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.2100	2.473	3	119.8845	0.822	24	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	119.1015	0.339	2	119.8845	0.822	24	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	119.4701	0.346	8	119.8845	0.822	24	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	120.2394	0.378	11	119.8845	0.822	24	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	120.5110	0.000	1	120.5110	0.000	1	119.9075	1.010	60	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>}	118.3260	0.000	1	118.3260	0.000	1	117.9279	0.055	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<1>}	117.9090	0.022	3	117.8507	0.038	6	117.9279	0.055	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|N<2>,1|N<3>,1|S<1>}	117.7923	0.289	3	117.8507	0.038	6	117.9279	0.055	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NPt)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NPt){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>}	117.9930	0.000	1	117.9930	0.000	1	117.9279	0.055	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(OCd){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	121.9610	0.252	2	121.9610	0.063	2	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(OCu)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(OCu){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	122.3110	0.000	1	122.3110	0.000	1	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	119.0950	0.000	1	119.0950	0.000	1	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OCo)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OCo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	120.5350	0.000	1	120.5350	0.000	1	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	119.8790	0.000	1	119.8790	0.000	1	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OMg)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OMg){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	120.7690	0.000	1	120.7690	0.000	1	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ir<6>,1|N<3>,1|O<2>}	117.2490	0.000	1	117.2490	0.000	1	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCo)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OCo){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	120.1830	0.000	1	120.1830	0.000	1	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OFe)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OFe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	120.1642	0.332	4	120.1642	0.110	4	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	118.7170	0.000	1	118.8066	0.225	8	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.8890	0.522	6	118.8066	0.225	8	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|N<3>,1|O<2>}	118.4020	0.000	1	118.8066	0.225	8	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OZn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OZn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	120.0390	0.448	8	120.0390	0.201	8	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]I)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|I<3>}	C[6](C[6]C[6]H)(N[6]C[6]I)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.4235	0.196	2	118.4235	0.038	2	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(OSn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(OSn){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.9495	0.670	2	119.9495	0.448	2	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(N[6]C[6]W)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	117.7920	0.433	2	117.7920	0.187	2	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(OSi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|W<9>}	C[6](C[6]C[6]H)(N[6]C[6]W)(OSi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.3730	0.000	1	118.3730	0.000	1	119.6130	1.425	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>}	122.0837	0.321	4	122.0837	0.103	4	121.3030	0.821	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,1|O<2>,1|S<1>}	120.3680	0.363	2	120.3680	0.132	2	121.3030	0.821	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,1|O<2>,1|S<1>}	120.6765	0.581	2	120.6765	0.337	2	121.3030	0.821	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(SPd)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(SPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.4937	1.008	3	120.4937	1.015	3	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(SPt)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(SPt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.2940	0.000	1	120.2940	0.000	1	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(SRh)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(SRh){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.6590	0.222	2	120.6590	0.049	2	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(SRu)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(SRu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.5287	0.493	3	120.5287	0.243	3	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(SC[6a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(SC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|S<2>,2|N<3>}	119.3310	0.000	1	119.3310	0.000	1	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(SCu)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(SCu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	121.7938	0.441	4	121.7938	0.194	4	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(SFe)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(SFe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	121.0980	0.000	1	121.0980	0.000	1	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.8000	1.041	4	119.8000	1.085	4	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCd)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.5650	0.550	3	120.5650	0.303	3	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.6923	0.809	6	120.6705	0.470	8	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|S<2>}	120.6050	0.092	2	120.6705	0.470	8	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SFe)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SFe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.1190	0.000	1	120.1190	0.000	1	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SIr)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.3550	0.000	1	120.3550	0.000	1	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SMo)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SMo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.9000	0.000	1	120.9000	0.000	1	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SPt)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SPt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.7755	0.685	2	119.7755	0.469	2	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SRe)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SRe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.4030	0.000	1	119.4030	0.000	1	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SRh)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SRh){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.5770	0.000	1	120.5770	0.000	1	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.1890	0.000	1	119.1890	0.000	1	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SZn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SZn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.5420	0.269	2	120.5420	0.072	2	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(SIr)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]N)(SIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.5760	0.000	1	119.7385	2.703	2	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(SIr)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]N)(SIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.9010	0.000	1	119.7385	2.703	2	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.9301	0.443	17	119.9301	0.196	17	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SCr)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SCr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	121.2553	0.788	3	121.2553	0.620	3	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SIr)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.6060	0.000	1	119.6060	0.000	1	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SMg)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SMg){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	122.0850	0.000	1	122.0850	0.000	1	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SPd)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.9215	0.047	2	120.9215	0.002	2	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SRu)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SRu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	121.3935	0.643	2	121.3935	0.413	2	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.3953	0.148	4	119.3953	0.022	4	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SSn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SSn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	121.4235	0.199	2	121.4235	0.039	2	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SZn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SZn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	121.9038	0.526	4	121.9038	0.277	4	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]N[6]B)(SCo)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6]B)(SCo){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	118.7030	0.204	3	118.7030	0.042	3	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]N[6]B)(SNi)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|B<4>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6]B)(SNi){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	118.3597	0.425	6	118.3597	0.181	6	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(SCu)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6]H)(SCu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	119.8565	0.285	2	119.8565	0.081	2	120.2485	1.089	89	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(SeCl)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(SeCl){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	118.0340	0.000	1	118.0340	0.000	1	118.0340	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,2|C<3>}	120.5509	0.782	10	120.5509	0.611	10	120.5509	0.611	10	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]N[6])	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]N[6]){1|Re<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|N<2>}	119.3570	0.000	1	119.3570	0.000	1	119.8410	1.090	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>}	120.0830	1.352	2	120.0830	1.828	2	119.8410	1.090	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]H)(H){4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,1|O<2>,3|C<3>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6])(C[6]N[6]H)(H){1|B<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|N<3>,2|C<3>,2|F<1>,3|H<1>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(H){1|O<2>,2|F<1>,3|C<3>}	119.2670	0.000	1	119.2670	0.000	1	119.2670	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:O-1:	C[6](C[6]N[5,6]O)(C[6]N[6]O)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(OMn)	C[6](N[6]C[5,6]H)(C[6]C[6]H)(O)	C[6](C[6]N[5,6]O)(C[6]N[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(OMn){1|C<3>,1|N<2>,1|N<3>,1|O<1>}	C[6](N[6]C[5,6]H)(C[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<2>}	122.4410	0.000	1	122.4410	0.000	1	122.4410	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|N<3>}	119.0480	0.000	1	119.0480	0.000	1	119.0480	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>}	120.3015	1.576	2	120.3015	2.484	2	120.3015	2.484	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Br-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(BrCu)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Br)(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(BrCu){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<2>,1|H<1>,1|N<3>}	116.6810	0.000	1	116.6810	0.000	1	116.6810	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CC){1|C<3>,3|B<6>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	120.5915	0.125	2	120.5915	0.016	2	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CN){1|C<3>,3|B<6>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	119.3335	0.293	2	119.3335	0.086	2	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Au)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Au<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Au)(C[6]C[6]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<2>}	119.7520	0.575	4	119.7520	0.330	4	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	119.0815	0.135	2	118.9912	0.018	5	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	118.9310	0.118	3	118.9912	0.018	5	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	117.7740	0.000	1	117.7740	0.000	1	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|N<3>}	118.6015	0.293	2	118.6015	0.086	2	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CW)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CW){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	120.9390	0.000	1	120.9390	0.000	1	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<2>}	119.5619	0.552	10	119.5594	0.250	15	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	119.5544	0.434	5	119.5594	0.250	15	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	119.2323	1.230	6	119.2323	1.513	6	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CW)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CW){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	120.9090	0.000	1	120.7003	0.081	3	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CW)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CW){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	120.8150	0.000	1	120.7003	0.081	3	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CW)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CW){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	120.3770	0.000	1	120.7003	0.081	3	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|N<3>}	121.0230	0.000	1	121.0230	0.000	1	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	119.4010	0.000	1	119.4010	0.000	1	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zr<13>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<2>,1|N<3>}	119.6450	0.000	1	119.6450	0.000	1	119.5610	0.700	44	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]N)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]N)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|H<1>,1|N<2>,1|N<3>}	117.3250	0.000	1	117.3250	0.000	1	117.3250	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.6060	0.000	1	120.6060	0.000	1	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(NC[5a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.9002	0.156	4	119.9002	0.024	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NSi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(NSi){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Al<5>,1|N<2>,2|N<3>}	118.2560	0.000	1	118.3633	0.030	3	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NSi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(NSi){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Al<7>,1|N<2>,2|N<3>}	118.4170	0.208	2	118.3633	0.030	3	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	121.9180	0.000	1	120.1460	2.467	3	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.2600	0.472	2	120.1460	2.467	3	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.6130	0.000	1	118.0288	0.316	5	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	117.8828	0.528	4	118.0288	0.316	5	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.2066	0.713	8	119.2066	0.509	8	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	118.3155	0.107	2	118.2550	0.017	3	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	118.1340	0.000	1	118.2550	0.017	3	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.0140	0.328	5	120.0140	0.107	5	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.5360	0.359	2	118.9285	0.264	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.3210	0.216	2	118.9285	0.264	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	117.6830	0.000	1	117.6830	0.000	1	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	119.8420	0.000	1	118.9165	1.713	2	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	117.9910	0.000	1	118.9165	1.713	2	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.0985	0.333	2	119.8004	0.938	5	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	119.6017	1.293	3	119.8004	0.938	5	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	120.0040	0.000	1	120.0040	0.000	1	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	118.0730	0.161	2	118.8265	0.767	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.5800	0.065	2	118.8265	0.767	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.9910	0.000	1	118.5227	0.263	3	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	118.2885	0.445	2	118.5227	0.263	3	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	120.1930	0.000	1	120.1420	0.005	2	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|N<2>,1|N<3>}	120.0910	0.000	1	120.1420	0.005	2	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.3552	0.409	5	120.5566	0.150	9	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[5a]){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|F<1>,1|N<2>,1|N<3>}	120.8083	0.153	4	120.5566	0.150	9	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.3226	0.127	5	118.3226	0.016	5	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	119.4330	0.481	2	119.6410	0.245	3	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	120.0570	0.000	1	119.6410	0.245	3	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.1820	0.000	1	120.1820	0.000	1	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.8336	0.453	5	118.8336	0.205	5	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.9850	0.078	2	118.9850	0.006	2	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.4182	0.676	10	119.2582	0.514	12	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.4585	0.064	2	119.2582	0.514	12	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	118.2620	0.000	1	118.7750	0.526	2	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.2880	0.000	1	118.7750	0.526	2	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	120.3860	0.091	2	120.3860	0.008	2	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.8215	0.190	2	118.8215	0.036	2	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	117.3880	0.045	2	118.1147	0.261	21	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	118.1478	0.544	5	118.1147	0.261	21	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	117.0700	0.000	1	118.1147	0.261	21	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	118.6170	0.000	1	118.1147	0.261	21	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.2321	0.345	11	118.1147	0.261	21	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	118.6540	0.000	1	118.1147	0.261	21	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	119.9000	0.622	2	120.4548	0.379	5	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	120.8247	0.225	3	120.4548	0.379	5	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.1803	0.758	9	119.3152	0.819	12	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.9295	0.057	2	119.3152	0.819	12	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(NN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|N<2>,1|N<3>}	121.3010	0.000	1	119.3152	0.819	12	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	119.4280	0.000	1	119.4280	0.000	1	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	118.2350	0.000	1	119.0299	0.555	7	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.3564	0.605	5	119.0299	0.555	7	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	118.1920	0.000	1	119.0299	0.555	7	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.6450	0.000	1	118.6450	0.000	1	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.2100	0.000	1	119.2100	0.000	1	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[5a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	121.8114	1.135	9	121.8114	1.287	9	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NC[5a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	121.1140	0.000	1	121.1140	0.000	1	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<2>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<2>,1|N<3>}	121.0890	0.000	1	119.2357	0.846	16	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.1138	0.833	14	119.2357	0.846	16	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.0890	0.000	1	119.2357	0.846	16	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.4280	0.435	3	119.4280	0.189	3	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.0440	0.578	3	118.6590	0.816	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	117.5040	0.000	1	118.6590	0.816	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	120.2670	0.000	1	120.2670	0.000	1	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.5120	0.000	1	119.5120	0.000	1	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.5918	0.201	6	120.7453	0.569	37	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.8050	0.796	4	120.7453	0.569	37	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<2>,1|N<3>,1|O<2>}	120.9890	0.651	2	120.7453	0.569	37	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	121.3670	0.328	10	120.7453	0.569	37	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.6977	0.827	6	120.7453	0.569	37	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|C<4>,1|N<2>,1|N<3>}	120.3455	0.276	2	120.7453	0.569	37	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|N<2>,1|N<3>,1|O<2>}	118.7410	0.000	1	120.7453	0.569	37	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	121.1050	0.673	2	120.7453	0.569	37	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|C<4>,1|N<2>,1|N<3>}	119.3600	0.074	2	120.7453	0.569	37	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.4840	0.000	1	120.7453	0.569	37	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|C<5>,1|N<2>,1|N<3>}	120.1240	0.000	1	120.7453	0.569	37	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	120.2980	0.139	2	120.2980	0.019	2	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.9650	0.000	1	119.9650	0.000	1	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.4315	0.496	2	118.2565	0.144	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.0815	0.250	2	118.2565	0.144	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	121.1360	0.776	2	120.0097	1.910	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.8835	0.228	2	120.0097	1.910	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	120.4665	0.175	2	120.4665	0.031	2	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Yb<14>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Yb)(C[6]C[6]H)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Yb<14>,1|N<2>,2|N<3>}	120.4010	0.000	1	120.4010	0.000	1	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	117.7290	0.000	1	119.0446	0.651	5	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	119.3735	0.384	4	119.0446	0.651	5	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	121.5595	0.291	4	120.5558	2.521	6	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|N<2>}	118.9110	0.000	1	120.5558	2.521	6	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.1860	0.000	1	120.5558	2.521	6	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.6817	0.285	3	118.7105	0.058	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	118.7970	0.000	1	118.7105	0.058	4	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<2>,1|N<3>}	119.6555	0.630	2	119.6555	0.397	2	119.5515	1.447	248	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|N<2>,1|N<3>,1|O<1>}	119.3020	0.000	1	119.3020	0.000	1	119.3020	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	117.4580	0.000	1	117.4580	0.000	1	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	117.5460	0.000	1	118.0840	0.092	6	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.1990	0.185	3	118.0840	0.092	6	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.1805	0.213	2	118.0840	0.092	6	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(OCo)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(OCo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	121.4130	0.000	1	121.4130	0.000	1	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	117.7897	0.461	4	117.7897	0.213	4	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(OSi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(OSi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	119.5040	0.000	1	119.8280	0.411	3	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(OSi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(OSi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	119.9900	0.815	2	119.8280	0.411	3	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	117.6189	0.827	7	117.8727	0.425	16	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	117.9640	0.696	2	117.8727	0.425	16	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	117.7600	0.000	1	117.8727	0.425	16	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.1915	0.351	4	117.8727	0.425	16	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.0885	0.664	2	117.8727	0.425	16	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.2595	0.746	2	118.2595	0.557	2	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC[6a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OC[6a]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	117.4830	0.000	1	117.4830	0.000	1	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	117.9373	0.607	3	118.3611	0.391	8	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	118.6154	0.533	5	118.3611	0.391	8	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OP[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OP[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	117.5445	0.211	2	117.5445	0.045	2	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	118.3255	0.577	6	118.3027	0.281	7	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.1660	0.000	1	118.3027	0.281	7	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.1420	1.392	2	117.2511	0.820	8	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	116.9542	0.581	6	117.2511	0.820	8	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(OP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	117.2560	0.154	2	117.2560	0.024	2	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|O<2>,2|N<3>}	119.4400	0.000	1	118.9707	0.179	3	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.7360	0.168	2	118.9707	0.179	3	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|O<2>,2|N<3>}	118.9950	0.573	2	118.9410	0.221	9	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.9256	0.488	7	118.9410	0.221	9	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OIr)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	120.3965	1.006	2	120.3965	1.012	2	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	117.7996	0.811	8	117.7996	0.658	8	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OSi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OSi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.6355	0.822	2	118.6355	0.676	2	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	118.2880	0.129	2	118.3941	0.043	7	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.4366	0.230	5	118.3941	0.043	7	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.7094	0.192	8	118.7094	0.037	8	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	117.4215	0.555	4	117.4215	0.308	4	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(OSi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(OSi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.7710	0.000	1	118.7710	0.000	1	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.0560	0.613	4	119.0560	0.376	4	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	117.4715	0.090	2	117.4117	0.148	6	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(OP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	117.3817	0.490	4	117.4117	0.148	6	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(OB)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(OB){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	117.4790	0.000	1	117.4790	0.000	1	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	119.3075	0.363	4	119.3075	0.132	4	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC[6a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	120.0460	1.229	2	120.0460	1.510	2	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.0355	0.770	2	119.0355	0.593	2	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	117.6535	0.336	4	117.6535	0.113	4	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OPd)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	120.5870	0.307	2	120.5870	0.094	2	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	117.8760	0.000	1	118.3620	0.305	3	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.6050	0.505	2	118.3620	0.305	3	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OC[6a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OC[6a]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.3445	0.936	2	119.3445	0.875	2	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	117.8025	0.537	4	117.8025	0.289	4	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	117.8537	0.326	4	117.8537	0.106	4	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(ORe)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(ORe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	121.1190	0.000	1	121.1190	0.000	1	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	119.6580	0.000	1	119.6580	0.000	1	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	117.8458	0.800	13	117.8458	0.641	13	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(ORh)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(ORh){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	119.8740	0.309	4	119.8124	0.091	5	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(ORh)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(ORh){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,1|O<2>,1|S<3>}	119.5660	0.000	1	119.8124	0.091	5	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.4457	0.594	3	118.4457	0.353	3	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OC[6a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|O<2>}	118.1425	0.183	2	118.1425	0.034	2	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	118.4570	0.214	2	119.1336	0.480	14	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	119.7368	0.722	5	119.1336	0.480	14	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<2>,1|N<3>,1|O<2>}	118.8095	0.145	2	119.1336	0.480	14	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.2675	0.279	2	119.1336	0.480	14	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|O<2>,2|N<3>}	118.1420	0.000	1	119.1336	0.480	14	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.9885	0.032	2	119.1336	0.480	14	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|O<2>}	117.7927	0.479	8	117.7927	0.230	8	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	120.4475	3.730	2	120.4475	13.913	2	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Zn<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	117.6930	0.000	1	118.2257	0.480	15	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.2638	0.702	14	118.2257	0.480	15	118.3818	1.008	207	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(SC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(SC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.4570	0.000	1	119.4570	0.000	1	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(SC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(SC[6]){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|S<2>}	118.5525	0.299	2	118.5525	0.089	2	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(SCo)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(SCo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.4940	0.254	3	119.4940	0.064	3	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(SPt)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(SPt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.0920	0.000	1	120.0920	0.000	1	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SMo)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SMo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.1530	0.202	4	118.1941	0.123	7	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SMo)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SMo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.8510	0.000	1	118.1941	0.123	7	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SMo)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SMo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	117.9480	0.238	2	118.1941	0.123	7	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(SNi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(SNi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.5900	0.000	1	119.0223	0.192	6	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(SNi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(SNi){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|S<2>}	119.1287	0.566	3	119.0223	0.192	6	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(SNi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(SNi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.0790	0.307	2	119.0223	0.192	6	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.0940	0.000	1	119.0940	0.000	1	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SC[5])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SC[5]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.2950	0.000	1	119.2950	0.000	1	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SPd)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SPd){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|S<2>}	119.8215	0.940	2	120.2846	0.470	7	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SPd)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.4698	0.578	5	120.2846	0.470	7	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SPt)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SPt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.2705	0.018	2	120.2705	0.000	2	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SC[6]){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|S<2>}	119.4206	0.569	14	119.6501	1.751	26	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SC[6]){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|S<2>}	120.2738	1.467	6	119.6501	1.751	26	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SC[6]){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|S<2>}	119.5620	2.267	6	119.6501	1.751	26	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(SC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(SC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.9670	0.188	2	118.9670	0.035	2	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(SP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(SP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.6010	0.550	3	119.6010	0.303	3	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Si)(C[6]C[6]H)(SW)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]H)(SW){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.9120	0.000	1	119.9120	0.000	1	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SPd)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.7917	0.529	7	119.7970	0.213	11	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SPd)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.8063	0.388	4	119.7970	0.213	11	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SPt)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SPt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	119.4315	0.135	2	119.4315	0.018	2	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SSn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SSn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.6190	0.471	2	118.2114	0.277	5	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SSn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SSn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	117.9397	0.407	3	118.2114	0.277	5	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(SC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(SC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	120.1460	0.000	1	120.1460	0.000	1	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(SZn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(SZn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<2>}	118.9380	0.000	1	118.9380	0.000	1	119.4202	1.029	83	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SeMo)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SeMo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	118.5180	0.663	2	118.5180	0.440	2	118.9001	0.519	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SePd)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SePd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	119.8020	0.000	1	119.8020	0.000	1	118.9001	0.519	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(SePt)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(SePt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	118.9390	0.000	1	118.9390	0.000	1	118.9001	0.519	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SeC[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SeC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	119.3420	0.225	2	119.3420	0.051	2	118.9001	0.519	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Se)(C[6]C[6]H)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SeSn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(SeSn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Se<2>,1|H<1>,1|N<3>}	117.8400	0.000	1	117.8400	0.000	1	118.9001	0.519	7	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H)	C[6](P[6]C[6,6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](P[6]C[6,6a]2)(C[6]C[6]H)(C[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<3>}	119.0300	0.000	1	119.0300	0.000	1	119.0300	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]O)(H)	C[6](P[6]C[6]Cu)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](P[6]C[6]Cu)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|O<2>,1|P<3>}	123.2070	0.407	2	123.5243	0.385	3	123.5243	0.385	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]O)(H)	C[6](P[6]C[6]Cu)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]O)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](P[6]C[6]Cu)(C[6]C[6]H)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|O<2>,1|P<3>}	124.1590	0.000	1	123.5243	0.385	3	123.5243	0.385	3	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]I)(O)	C[6](C[6]C[6]O)2(I){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(O){1|C<3>,1|H<1>,1|O<2>}	122.7290	0.000	1	122.7290	0.000	1	120.8341	0.758	9	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(OH)	C[6](C[6]C[6]I)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(I){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]I)(C[6]C[6]O)(OH){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(O){1|C<3>,1|I<1>,1|O<2>}	120.6988	0.548	6	120.5973	0.289	8	120.8341	0.758	9	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(OH)	C[6](C[6]C[6]I)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(I){1|C<3>,2|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(OH){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(O){1|C<3>,1|I<1>,1|O<2>}	120.2925	0.524	2	120.5973	0.289	8	120.8341	0.758	9	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(O)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	117.7660	0.000	1	117.7660	0.000	1	117.7660	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]O)(N[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]O)(N[6]C[6]){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	114.5620	0.000	1	114.5620	0.000	1	114.5620	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NH)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	117.9880	0.000	1	117.9880	0.000	1	117.5815	0.580	53	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	118.4553	0.206	4	117.5670	0.606	50	117.5815	0.580	53	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	117.4898	0.762	46	117.5670	0.606	50	117.5815	0.580	53	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	117.7410	0.479	2	117.7410	0.230	2	117.5815	0.580	53	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){2|C<2>,2|C<3>,3|C<4>}	116.7410	0.030	2	116.7410	0.001	2	116.7410	0.001	2	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	115.2832	0.856	26	115.3361	0.730	29	115.3361	0.730	29	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<2>}	115.7943	0.840	3	115.3361	0.730	29	115.3361	0.730	29	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]N)(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6])	C[6](C[6]C[6]N)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]N)(O){1|C<3>,1|F<1>,1|N<3>}	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(F){1|C<3>,1|N<2>,1|O<1>}	117.4210	0.000	1	117.4210	0.000	1	117.4210	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|N<2>,1|N<3>}	117.9280	0.337	2	117.9110	0.058	3	117.8216	0.052	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|N<2>,1|N<3>}	117.8770	0.000	1	117.9110	0.058	3	117.8216	0.052	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NN)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|H<1>,1|N<2>}	117.7240	0.241	4	117.7240	0.058	4	117.8216	0.052	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NO)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NO){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|H<1>,1|N<2>}	117.9440	0.000	1	117.9440	0.000	1	117.8216	0.052	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	119.1060	0.000	1	119.1060	0.000	1	119.1060	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	116.8680	0.280	2	116.8680	0.078	2	117.7243	0.691	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,1|O<2>}	119.3620	0.000	1	119.3620	0.000	1	117.7243	0.691	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	117.1340	0.000	1	117.1340	0.000	1	117.7243	0.691	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	117.4571	0.511	18	117.7045	0.599	31	117.7243	0.691	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	118.0469	0.952	13	117.7045	0.599	31	117.7243	0.691	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Br<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<2>,1|C<3>,1|O<2>}	119.0050	0.000	1	119.0050	0.000	1	117.7243	0.691	36	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	117.9050	0.000	1	117.9050	0.000	1	117.9958	0.319	142	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	117.6730	0.000	1	117.6730	0.000	1	117.9958	0.319	142	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|O<2>}	117.0680	0.000	1	117.0680	0.000	1	117.9958	0.319	142	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	117.4420	0.000	1	117.4420	0.000	1	117.9958	0.319	142	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	118.0028	0.432	79	118.0095	0.319	138	117.9958	0.319	142	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	118.0184	0.709	59	118.0095	0.319	138	117.9958	0.319	142	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(OH){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]O)2(F){1|C<3>,1|O<1>,1|O<2>}	117.0830	0.574	2	117.3938	0.176	5	117.3938	0.176	5	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]F)(C[6]C[6]O)(OH){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]O)2(F){1|C<3>,1|O<1>,1|O<2>}	117.6010	0.162	3	117.3938	0.176	5	117.3938	0.176	5	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	116.7030	0.000	1	117.1780	0.451	2	117.4794	1.125	12	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){2|C<3>,2|O<2>}	117.6530	0.000	1	117.1780	0.451	2	117.4794	1.125	12	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	116.1170	0.000	1	116.1170	0.000	1	117.4794	1.125	12	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>}	116.1390	0.622	2	116.1390	0.387	2	117.4794	1.125	12	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	117.1030	0.000	1	117.1030	0.000	1	117.4794	1.125	12	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<2>}	117.9140	0.000	1	117.9140	0.000	1	117.4794	1.125	12	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<1>,1|O<2>}	118.7003	0.497	3	118.7003	0.247	3	117.4794	1.125	12	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OSi)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OSi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<1>,1|O<2>}	118.2390	0.000	1	118.2390	0.000	1	117.4794	1.125	12	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]I)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	117.6450	0.000	1	117.6450	0.000	1	117.4794	1.125	12	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)(C[6]C[6]O)(O)	C[6](C[6]C[6]I)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(O){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(OH){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]O)2(I){1|C<3>,1|O<1>,1|O<2>}	118.2985	0.349	2	118.3149	0.143	8	118.3149	0.143	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)(C[6]C[6]O)(O)	C[6](C[6]C[6]I)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(O){1|C<3>,1|I<1>,1|O<2>}	C[6](C[6]C[6]I)(C[6]C[6]O)(OH){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]O)2(I){1|C<3>,1|O<1>,1|O<2>}	118.3203	0.420	6	118.3149	0.143	8	118.3149	0.143	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SC)	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,1|S<2>}	119.0960	0.000	1	119.0960	0.000	1	119.0960	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Se)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeSe)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Se)(C[6]C[6]H)(O){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SeSe){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Se<2>,3|C<3>}	116.3930	0.000	1	116.3930	0.000	1	116.3930	0.000	1	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]N[6]C)(OH)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	115.8910	0.000	1	115.8910	0.000	1	115.2735	0.587	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]C)(OGa[5,5])	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OGa[5,5]){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	116.3610	0.000	1	116.3610	0.000	1	115.2735	0.587	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]C)(OH)	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	114.6865	0.028	2	114.7388	0.044	5	115.2735	0.587	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]C)(OH)	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	114.7737	0.288	3	114.7388	0.044	5	115.2735	0.587	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(OH)	C[6](C[6]C[6]S)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(OH){1|H<1>,3|C<3>}	C[6](C[6]C[6]S)(C[6]O[6]C)(H){1|C<3>,1|O<2>}	116.2420	0.000	1	116.2420	0.000	1	115.2735	0.587	8	119.4104	2.756	1743	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])(C[6]C[5]O[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[5]C[5]N[5])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])(C[6]C[5]O[6])(H){1|B<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,3|C<3>,3|F<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(O[6]B[6]){1|O<2>,3|C<3>,3|F<1>}	119.9400	0.042	2	119.9400	0.002	2	119.9400	0.002	2	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a,6,6]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[5a]C[5a,6,6]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a,6,6]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[5a]C[5a,6,6]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	120.7430	0.000	1	120.7430	0.000	1	119.8383	0.451	59	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	120.0803	0.546	23	119.8227	0.444	58	119.8383	0.451	59	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.4083	0.332	3	119.8227	0.444	58	119.8383	0.451	59	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,5|C<3>}	120.2825	0.135	2	119.8227	0.444	58	119.8383	0.451	59	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,3|C<3>,3|O<2>}	120.2190	0.000	1	119.8227	0.444	58	119.8383	0.451	59	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,4|C<3>}	119.7244	0.811	7	119.8227	0.444	58	119.8383	0.451	59	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,3|C<3>,3|F<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,3|C<3>,3|F<1>}	118.9946	0.463	5	119.8227	0.444	58	119.8383	0.451	59	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,2|F<1>,2|O<2>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,2|F<1>,2|O<2>,3|C<3>}	119.4630	0.000	1	119.8227	0.444	58	119.8383	0.451	59	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	119.6362	0.610	13	119.8227	0.444	58	119.8383	0.451	59	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(H){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	119.3607	0.837	3	119.8227	0.444	58	119.8383	0.451	59	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])(C[6]C[6a]O[6])(H)	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])(C[6]C[6a]O[6])(H){1|B<4>,4|C<3>}	C[6](C[5a]C[5a]2)(C[6]C[6]H)(O[6]B[6]){2|C<3>,2|F<1>,2|H<1>,2|O<2>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.4003	0.368	3	120.4003	0.135	3	119.6872	0.741	6	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])(C[6]C[6a]O[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(O[6]B[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[5a]O[6])(C[6]C[6a]O[6])(H){1|B<4>,1|O<2>,3|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)(O[6]B[6]){1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	118.9740	0.436	3	118.9740	0.190	3	119.6872	0.741	6	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC){1|N<2>,2|C<3>}	122.0067	0.208	3	122.0067	0.043	3	122.2476	0.154	5	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OH){1|N<2>,2|C<3>}	122.6090	0.310	2	122.6090	0.096	2	122.2476	0.154	5	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<2>,1|C<3>,1|C<4>}	118.9013	0.562	4	121.0561	16.682	8	121.0561	16.682	8	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<2>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<2>,1|C<3>}	123.2110	5.121	4	121.0561	16.682	8	121.0561	16.682	8	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Co<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Co<6>,1|C<2>,1|C<3>}	118.6480	0.000	1	118.7668	0.444	6	118.7668	0.444	6	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Pd<4>,1|C<2>,1|C<3>}	118.7906	0.742	5	118.7668	0.444	6	118.7668	0.444	6	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Br<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]H)2(CN){1|Br<1>,1|C<3>,1|O<2>}	118.7140	0.000	1	118.7140	0.000	1	118.7140	0.000	1	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2(NN){1|O<2>,2|C<3>}	120.5722	0.581	5	120.5722	0.338	5	120.5722	0.338	5	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|O<1>,1|O<2>}	119.1460	0.000	1	119.1460	0.000	1	118.8905	0.168	6	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](C[6]C[6]O)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Co<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Co<6>,1|C<3>,1|O<2>}	118.6070	0.191	3	118.6070	0.036	3	118.8905	0.168	6	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|O<1>,1|O<2>}	119.1880	0.533	2	119.1880	0.284	2	118.8905	0.168	6	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:O-2:	C[6](C[6]N[6]O)2(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn)	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn)	C[6](C[6]N[6]O)2(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn){1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(OMn){1|N<3>,1|O<2>,1|S<1>}	121.5640	0.000	1	121.5640	0.000	1	121.4080	0.061	4	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:O-2:	C[6](C[6]N[6]O)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa)	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa)	C[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa){1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OCa){1|N<3>,1|O<2>,1|S<1>}	121.6470	0.000	1	121.6470	0.000	1	121.4080	0.061	4	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:O-2:	C[6](C[6]N[6]O)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi)	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi)	C[6](C[6]N[6]O)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi){1|N<3>,1|O<2>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OLi){1|N<3>,1|O<2>,1|S<1>}	121.2105	0.156	2	121.2105	0.024	2	121.4080	0.061	4	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|C<2>,2|H<1>,4|C<3>}	119.5600	0.000	1	119.5600	0.000	1	119.5600	0.000	1	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6a]-3:C[6]-3:S[6]-2:	C[6](C[6]C[6a]N[6])(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]C[6a]S[6])(H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|S<1>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|N<2>,1|S<1>,2|H<1>,3|C<3>}	123.8220	0.000	1	123.8220	0.000	1	123.8220	0.000	1	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(OH){1|O<2>,2|C<3>}	120.2065	0.124	4	120.2065	0.015	4	120.2065	0.015	4	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6a]N[6])(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6a]N[6])(C[6]C[6a]O[6])(H){1|C<4>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(O[6]C[6]){1|N<2>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|O<2>,3|H<1>,4|C<3>}	117.1240	0.000	1	117.1240	0.000	1	117.1240	0.000	1	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6a]O[6])2(H){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,1|H<1>,1|O<2>,2|F<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	121.4247	0.642	3	120.4409	0.652	37	120.4409	0.652	37	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6a]O[6])2(H){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	120.5743	0.657	27	120.4409	0.652	37	120.4409	0.652	37	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6a]O[6])2(H){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,3|C<3>,4|F<1>}	118.5410	0.000	1	120.4409	0.652	37	120.4409	0.652	37	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6a]O[6])2(H){1|B<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|H<1>,5|C<3>}	119.6657	0.408	6	120.4409	0.652	37	120.4409	0.652	37	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	N[6]-3:C[6]-3:S-2:	C[6](C[6]C[6a]O[6])(C[6]N[6]S)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(SC)	C[6](C[6]C[6a]O[6])(C[6]N[6]S)(H){1|B<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|N<3>,1|S<2>,2|C<3>,2|F<1>,2|H<1>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(SC){1|O<2>,2|F<1>,3|C<3>}	120.5330	0.000	1	120.5330	0.000	1	120.5330	0.000	1	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[5])(C[6]C[6]O)(H)	C[6](N[5]C[5,6]C[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[4a]C[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]N[5])(C[6]C[6]O)(H){1|C<4>,3|C<3>}	C[6](N[5]C[5,6]C[5])(C[6]C[6]H)(C[6]C[6]){1|C<2>,1|C<4>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[4a]C[6])(C[6]C[6]H)(OH){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	122.0420	0.000	1	122.0420	0.000	1	122.0420	0.000	1	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	120.1847	0.740	4	120.1847	0.548	4	120.0667	0.627	14	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	119.6628	0.297	4	119.6628	0.088	4	120.0667	0.627	14	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	121.5405	0.189	2	121.5405	0.036	2	120.0667	0.627	14	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	119.6158	0.341	4	119.6158	0.116	4	120.0667	0.627	14	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-2:	C[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NN)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NN)	C[6](C[6]N[6]N)2(H){2|Fe<6>,1|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NN){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NN){1|H<1>,1|N<2>,1|N<3>}	117.9455	0.466	2	117.9455	0.217	2	117.9455	0.217	2	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(OH)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(OH){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>}	118.0900	0.000	1	118.0900	0.000	1	118.0900	0.000	1	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6]N)(C[6]C[6]N)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(NN)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NN)	C[6](C[6]C[6,6]N)(C[6]C[6]N)(O){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(NN){1|C<3>,2|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NN){1|C<3>,1|C<4>,2|N<2>}	116.6650	0.000	1	116.6650	0.000	1	116.6650	0.000	1	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)2(O){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|F<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|F<1>}	115.0010	0.000	1	115.0010	0.000	1	115.0010	0.000	1	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]O)2(NN)	C[6](C[6]C[6]O)2(NN)	C[6](C[6]C[6]N)2(O){1|C<3>,2|O<1>}	C[6](C[6]C[6]O)2(NN){1|C<3>,2|N<2>}	C[6](C[6]C[6]O)2(NN){1|C<3>,2|N<2>}	116.8517	3.029	4	116.8517	9.176	4	116.8517	9.176	4	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(CN){1|C<3>,1|O<1>,1|O<2>}	116.7400	0.000	1	116.7400	0.000	1	115.9820	1.149	2	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(OC){1|C<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|O<1>,1|O<2>}	115.2240	0.000	1	115.2240	0.000	1	115.9820	1.149	2	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|C<3>,1|O<2>,2|C<4>}	114.8450	0.000	1	114.8450	0.000	1	117.8580	2.541	8	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|C<3>}	116.6910	0.000	1	116.6910	0.000	1	117.8580	2.541	8	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]O)2(O){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|C<3>,1|O<1>,1|O<2>}	117.7710	0.000	1	117.7710	0.000	1	117.8580	2.541	8	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|O<2>}	119.8730	0.000	1	119.8730	0.000	1	117.8580	2.541	8	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)2(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC){1|C<3>,1|O<1>,1|O<2>}	117.6000	0.000	1	117.6000	0.000	1	117.8580	2.541	8	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]O)2(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|C<3>,1|O<1>,1|O<2>}	117.8510	0.000	1	117.8510	0.000	1	117.8580	2.541	8	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]O)2(O){1|C<3>,2|O<2>}	C[6](C[6]C[6]O)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(OH){1|C<3>,1|O<1>,1|O<2>}	119.1165	0.207	2	119.1165	0.043	2	117.8580	2.541	8	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a])	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a])	C[6](C[6]C[6]S)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	117.2360	1.884	2	117.2360	3.548	2	118.1190	4.113	3	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)2(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(SC)	C[6](C[6]C[6]O)(C[6]C[6]S)(SC)	C[6](C[6]C[6]S)2(O){1|C<3>,2|S<2>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SC){1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SC){1|C<3>,1|O<1>,1|S<2>}	119.8850	0.000	1	119.8850	0.000	1	118.1190	4.113	3	119.8081	2.722	184	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]N)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6,6a]N)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|N<2>,2|C<3>}	123.3800	0.000	1	123.3800	0.000	1	123.3800	0.000	1	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCH){1|O<2>,2|C<3>}	122.0710	0.000	1	122.0710	0.000	1	121.8735	0.078	2	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO){1|O<2>,2|C<3>}	121.6760	0.000	1	121.6760	0.000	1	121.8735	0.078	2	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<2>,2|C<3>}	120.0920	0.000	1	120.0920	0.000	1	120.0920	0.000	1	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	119.2980	0.000	1	119.2980	0.000	1	119.7118	1.033	5	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	119.3340	0.000	1	119.3340	0.000	1	119.7118	1.033	5	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	118.8430	0.000	1	118.8430	0.000	1	119.7118	1.033	5	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	120.5420	1.298	2	120.5420	1.685	2	119.7118	1.033	5	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(CHN){1|C<3>,2|O<2>}	120.0160	1.076	2	120.0160	1.158	2	120.0160	1.158	2	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)2(NC[6a]S)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NC[6a]S){1|C<3>,1|H<1>,1|O<2>}	121.8990	0.000	1	121.8990	0.000	1	120.2935	5.155	2	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NOO){1|O<2>,2|C<3>}	118.6880	0.000	1	118.6880	0.000	1	120.2935	5.155	2	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-2:	C[6]-3:N[6]-3:N-3:	C[6](C[6]N[6]2)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6])	C[6](C[6]C[6]H)(N[6]C[6]O)(NHH)	C[6](C[6]N[6]2)(C[6]N[6]N)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]){2|C<4>,3|N<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NHH){1|N<2>,2|N<3>}	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<2>,1|H<1>,4|C<3>}	118.7410	0.000	1	118.7410	0.000	1	118.7410	0.000	1	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]N[6])(H){1|Zn<5>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	118.2600	0.000	1	118.2600	0.000	1	118.2600	0.000	1	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|O<2>,3|C<3>,4|C<4>}	123.2290	0.072	2	123.2290	0.005	2	122.9020	0.194	4	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,4|C<3>}	122.5750	0.386	2	122.5750	0.149	2	122.9020	0.194	4	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(CCC){1|O<2>,2|C<3>}	121.2275	0.088	2	121.2275	0.008	2	121.9592	1.008	4	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]H)2(CC[6]H)	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(CC[6]H){1|O<2>,2|C<3>}	122.6910	0.935	2	122.6910	0.874	2	121.9592	1.008	4	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	121.8509	1.651	8	121.8509	2.727	8	121.4045	3.014	10	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(C[6]N[6]2){1|O<2>,6|C<3>}	119.6190	0.260	2	119.6190	0.068	2	121.4045	3.014	10	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	121.2344	0.737	14	121.2344	0.543	14	121.1660	0.506	16	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(O[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(O[6]C[6]){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	120.6875	0.095	2	120.6875	0.009	2	121.1660	0.506	16	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:P[6]-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,1|P<2>,2|H<1>,3|C<3>}	124.4060	0.000	1	125.2043	0.492	3	125.2043	0.492	3	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:P[6]-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<2>,2|H<1>,4|C<3>}	125.6035	0.166	2	125.2043	0.492	3	125.2043	0.492	3	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]S[6])(C[6]C[6]2)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]S[6])(C[6]C[6]2)(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){2|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|S<2>,2|H<1>,4|C<3>}	126.8425	0.015	2	126.8425	0.000	2	126.8425	0.000	2	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:S[6]-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]S[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6])	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]S[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(S[6]C[6]){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|S<2>,2|H<1>,4|C<3>}	123.6910	0.000	1	123.6910	0.000	1	123.6910	0.000	1	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]N)(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6,6a]N)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NN){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO){1|N<2>,2|C<3>}	118.6310	0.000	1	118.6310	0.000	1	118.6310	0.000	1	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a])	C[6](C[6]C[6]O)2(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a]){1|O<1>,2|C<3>}	C[6](C[6]C[6]O)2(COO){1|C<3>,1|O<1>,1|O<2>}	117.7014	0.871	5	117.7014	0.759	5	117.7014	0.759	5	121.2123	4.803	62	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]N)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(NN)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]N)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(NN){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,2|C<4>}	121.8130	0.000	1	121.8130	0.000	1	121.8130	0.000	1	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]N)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6,6a]N)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NN){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[6]HH){1|N<2>,2|C<3>}	123.1317	0.388	4	123.1317	0.150	4	123.1317	0.150	4	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCu)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OCu){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>}	122.6490	0.000	1	122.6490	0.000	1	122.6490	0.000	1	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]O)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CCHH){1|O<2>,2|C<3>}	120.6750	0.000	1	120.6750	0.000	1	120.6750	0.000	1	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	122.6650	0.000	1	122.6650	0.000	1	121.8005	0.864	4	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<2>}	122.0280	0.020	2	122.0280	0.000	2	121.8005	0.864	4	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a])	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<2>}	120.4810	0.000	1	120.4810	0.000	1	121.8005	0.864	4	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CCHH){1|O<2>,2|C<3>}	121.8030	0.000	1	121.8030	0.000	1	121.8030	0.000	1	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	123.5025	0.083	2	123.5025	0.007	2	122.3412	1.135	5	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|O<2>,2|C<3>}	121.5670	0.136	3	121.5670	0.018	3	122.3412	1.135	5	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|C<4>,1|P<2>,2|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<2>}	128.2555	0.139	2	128.2555	0.019	2	128.2555	0.019	2	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(SC[6a])	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(SC[6a]){1|C<3>,1|S<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,2|S<2>}	122.8890	0.000	1	122.8890	0.000	1	122.4082	0.193	5	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a])	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|S<2>}	122.2880	0.401	4	122.2880	0.161	4	122.4082	0.193	5	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	120.3120	0.000	1	120.3120	0.000	1	121.6183	1.171	4	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	121.6190	0.322	2	121.6190	0.104	2	121.6183	1.171	4	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(NS)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(N[6]C[6]S)(NS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	122.9230	0.000	1	122.9230	0.000	1	121.6183	1.171	4	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	120.0690	0.480	3	120.0690	0.230	3	120.0690	0.230	3	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CFFH)	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CFFH){1|H<1>,1|N<2>,4|C<3>}	117.6790	0.000	1	117.6790	0.000	1	117.6790	0.000	1	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3)	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,2|O<2>}	119.1620	0.000	1	119.1620	0.000	1	119.1620	0.000	1	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a])	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a]){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|N<3>,1|S<2>}	123.7345	0.691	2	123.7345	0.477	2	123.7345	0.477	2	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	121.6970	0.123	4	121.6970	0.015	4	121.5801	0.552	18	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	120.7430	0.000	1	120.7430	0.000	1	121.5801	0.552	18	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	121.7145	0.039	2	121.7145	0.002	2	121.5801	0.552	18	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	121.5590	0.024	2	121.5590	0.001	2	121.5801	0.552	18	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	120.2080	0.351	2	120.2080	0.123	2	121.5801	0.552	18	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|H<1>,1|N<2>,1|N<3>}	122.8295	0.500	2	122.8295	0.250	2	121.5801	0.552	18	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NP)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	121.5240	0.000	1	121.5240	0.000	1	121.5801	0.552	18	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	122.2430	0.126	2	122.2430	0.016	2	121.5801	0.552	18	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	121.1390	0.000	2	121.1390	0.000	2	121.5801	0.552	18	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OP[6])	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(OP[6]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	119.1945	0.161	2	119.1945	0.026	2	120.2655	0.586	16	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OSi)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OSi){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	120.2445	0.315	4	120.5288	0.255	9	120.2655	0.586	16	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OSi)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(OSi){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	120.7562	0.539	5	120.5288	0.255	9	120.2655	0.586	16	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC[6a])	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(OC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	119.8415	1.503	2	119.8415	2.258	2	120.2655	0.586	16	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(OH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|N<3>,1|O<2>}	120.4723	0.727	3	120.4723	0.528	3	120.2655	0.586	16	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OC)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|Mn<4>,1|Mn<9>,1|C<4>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(OC){1|Mn<9>,1|C<4>,1|N<3>,1|N<4>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|N<3>,1|N<4>,1|O<2>}	116.3980	0.000	1	116.3980	0.000	1	116.3980	0.000	1	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[5,6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(O)	C[6](C[5,6,6]C[5,6,6]2)(C[6]C[6]O)(OH)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]2)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,5|C<4>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,2|O<2>}	119.5570	0.000	1	119.5570	0.000	1	119.5570	0.000	1	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]C[5,6]O)(O)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]O)(OC)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH)	C[6](C[6]C[6,6a]C)(C[6]C[5,6]O)(O){1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]O)(CCCH){1|H<1>,1|O<2>,3|C<3>}	124.8030	0.000	1	124.8030	0.000	1	124.8030	0.000	1	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(OH){2|C<3>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH){1|O<2>,2|C<3>}	119.7640	0.000	1	119.7640	0.000	1	119.7640	0.000	1	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[5,6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	119.9700	0.000	1	119.9700	0.000	1	119.9700	0.000	1	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|O<2>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|O<1>,1|O<2>}	120.0430	0.000	1	120.0430	0.000	1	120.0430	0.000	1	121.4819	3.406	75	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(Br)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6])	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<3>,1|O<2>,2|H<1>}	123.0470	0.000	1	122.9020	0.042	2	122.9020	0.042	2	121.7003	1.484	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(Br)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6])	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(Br){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(O[6]C[6]){1|Cl<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<3>,1|O<2>,2|H<1>}	122.7570	0.000	1	122.9020	0.042	2	122.9020	0.042	2	121.7003	1.484	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:Cl-1:	C[5a]-3:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(Cl)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]Cl)(O[6]C[6])	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O)	C[6](C[6]C[5a]O[6])(C[6]C[6]O)(Cl){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]Cl)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O){1|C<3>,1|O<2>,2|H<1>}	122.3965	0.435	2	122.3965	0.189	2	122.3965	0.189	2	121.7003	1.484	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]Cl)(O){1|O<2>,4|C<3>}	121.7530	0.734	2	121.7530	0.539	2	121.7530	0.539	2	121.7003	1.484	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.3970	0.000	1	122.3970	0.000	1	122.3970	0.000	1	121.7003	1.484	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(OH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.6550	0.000	1	119.6550	0.000	1	119.6550	0.000	1	121.7003	1.484	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(OS)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(OS){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	119.0690	0.000	1	119.0690	0.000	1	119.0690	0.000	1	121.7003	1.484	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>}	121.6480	0.000	1	121.6480	0.000	1	121.6480	0.000	1	121.7003	1.484	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:I-1:	C[6a]-3:C[6]-3:O[6]-2:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]O[6])(C[6]C[5,6]O)(I)	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6])	C[6](C[5,6]C[5]2C[6])(C[6]C[6]I)(O)	C[6](C[6]C[6a]O[6])(C[6]C[5,6]O)(I){2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6]){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]I)(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	121.9710	0.000	1	121.9710	0.000	1	121.9710	0.000	1	121.7003	1.484	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:I-1:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(I)	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6])	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(I){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]I)(O[6]C[6]){1|Br<1>,1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|C<3>,1|O<2>,2|H<1>}	121.5610	0.000	1	121.5610	0.000	1	121.5610	0.000	1	121.7003	1.484	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6]){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,2|C<3>}	122.4310	0.000	1	122.4310	0.000	1	122.4310	0.000	1	121.2270	2.899	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:2:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]N[6])	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]N[6]){1|S<4>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,1|S<4>}	120.0230	0.000	1	120.0230	0.000	1	120.0230	0.000	1	121.2270	2.899	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH)	C[6](O[6]C[6,6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]C)(C[6]O[6]O)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHH){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(O){3|C<3>}	123.0430	0.000	1	123.0430	0.000	1	123.0430	0.000	1	120.9060	2.484	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C[6]-3:	N[6]-2:C[6]-3:H-1:	C[6](C[6]N[5,6]C[6])(C[6]N[6]H)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C[6])(C[6]N[6]H)(H){2|C<3>,2|N<3>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]N[6])(C[6]C[6]H){1|Pd<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){1|N<3>,2|C<3>}	121.0350	0.000	1	121.0350	0.000	1	121.0350	0.000	1	120.9060	2.484	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N-3:	N[6]-2:C[6]-3:H-1:	C[6](C[6]N[5,6]N)(C[6]N[6]H)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(NHH)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){3|N<3>}	119.7730	0.549	2	119.7730	0.301	2	119.7730	0.301	2	120.9060	2.484	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CCH){3|C<3>}	122.4230	0.000	1	122.4230	0.000	1	122.8280	0.328	2	122.8280	0.328	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]H)	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[6a]O){2|O<2>,3|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CC[6a]H){3|C<3>}	123.2330	0.000	1	123.2330	0.000	1	122.8280	0.328	2	122.8280	0.328	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C)(C[6]O[6]C)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|O<1>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){3|C<3>}	123.9660	0.000	1	123.9660	0.000	1	123.9660	0.000	1	122.6498	0.559	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	2:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-3:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]O[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OLi2)	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]O)(C[6]O[6]C)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OLi2){1|C<3>,1|C<4>,3|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,1|O<3>}	122.3208	0.154	4	122.3208	0.024	4	122.3208	0.024	4	122.6498	0.559	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.6000	0.273	2	120.6000	0.074	2	120.6000	0.074	2	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[5]C[6])(C[6]O[6]H)(H)	C[6](C[5]S[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[5]C[6])(C[6]O[6]H)(H){1|C<3>,1|H<1>,2|S<2>}	C[6](C[5]S[5]2)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|H<1>,2|C<3>}	121.0650	0.195	2	121.0650	0.038	2	121.0650	0.038	2	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:S[6]-2:H-1:	C[6](C[6]C[5]C[6])(C[6]S[6]H)(H)	C[6](C[5]S[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(S[6]C[6])(H)	C[6](C[6]C[5]C[6])(C[6]S[6]H)(H){1|C<3>,1|H<1>,2|S<2>}	C[6](C[5]S[5]2)(C[6]C[6]H)2{1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(S[6]C[6])(H){1|H<1>,2|C<3>}	124.7315	0.896	2	124.7315	0.803	2	124.7315	0.803	2	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<2>,1|C<3>,1|N<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	118.6400	0.000	1	118.6400	0.000	1	118.6400	0.000	1	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){2|C<3>}	120.1630	0.000	1	120.1630	0.000	1	120.2997	0.088	3	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a,6]C[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|B<4>,1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.3680	0.385	2	120.3680	0.148	2	120.2997	0.088	3	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]H)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(Br){1|H<1>,2|C<3>}	119.6180	0.000	1	119.6180	0.000	1	119.6180	0.000	1	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.4090	0.000	1	120.4090	0.000	1	120.6030	0.075	2	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.7970	0.000	1	120.7970	0.000	1	120.6030	0.075	2	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)2{1|Pd<4>,1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|C<3>}	120.7685	0.503	2	120.7685	0.253	2	120.7685	0.253	2	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){2|C<3>}	119.3700	0.000	1	119.3700	0.000	1	119.3700	0.000	1	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2){1|Rh<6>,1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	120.1060	0.000	1	120.1060	0.000	1	119.0137	0.898	3	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|Pt<4>,1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	118.4675	0.076	2	118.4675	0.006	2	119.0137	0.898	3	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|N<3>,1|V<7>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	115.9000	0.000	1	116.5945	0.965	2	116.5945	0.965	2	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|N<3>,1|V<7>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.2890	0.000	1	116.5945	0.965	2	116.5945	0.965	2	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	118.3180	0.000	1	118.3180	0.000	1	118.3180	0.000	1	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Co<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|N<3>,1|S<2>}	117.1377	0.588	3	116.7848	0.728	4	116.6803	0.416	14	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Co<8>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	115.7260	0.000	1	116.7848	0.728	4	116.6803	0.416	14	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Cu<5>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|N<3>,1|S<2>}	116.8705	0.080	2	116.8705	0.006	2	116.6803	0.416	14	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Ir<8>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	115.8370	0.000	1	116.8210	1.937	2	116.6803	0.416	14	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Ir<8>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.8050	0.000	1	116.8210	1.937	2	116.6803	0.416	14	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Ni<5>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>}	116.2590	0.337	2	116.2590	0.113	2	116.6803	0.416	14	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Rh<8>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	116.1710	0.000	1	116.1710	0.000	1	116.6803	0.416	14	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Ru<9>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,2|N<3>}	116.2730	0.000	1	116.2730	0.000	1	116.6803	0.416	14	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Zn<5>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>}	117.0200	0.007	2	117.0200	0.000	2	116.6803	0.416	14	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Cl<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){3|N<3>}	116.0210	0.549	4	116.0210	0.301	4	116.0210	0.301	4	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<2>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|S<1>,2|N<3>}	117.9520	0.000	1	117.9520	0.000	1	117.9520	0.000	1	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){2|C<3>,2|H<1>}	123.1315	0.685	2	123.1315	0.469	2	123.1315	0.469	2	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.7700	0.000	1	119.7700	0.000	1	119.7700	0.000	1	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|O<2>,3|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	120.0860	0.000	1	120.0860	0.000	1	120.0860	0.000	1	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|C<3>}	117.3990	0.000	1	117.3990	0.000	1	117.8235	0.360	2	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|N<3>,2|C<3>}	118.2480	0.000	1	118.2480	0.000	1	117.8235	0.360	2	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|H<1>,2|N<3>}	117.9930	0.000	1	117.9930	0.000	1	117.9930	0.000	1	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|Cl<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){3|N<3>}	115.6360	0.257	2	115.5077	0.083	3	115.5077	0.083	3	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|Cl<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){3|N<3>}	115.2510	0.000	1	115.5077	0.083	3	115.5077	0.083	3	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){3|N<3>}	117.2850	0.000	1	117.2850	0.000	1	117.2850	0.000	1	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)(C[6]N[6]2)(H)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]2)(H){1|Ru<6>,1|C<4>,2|C<3>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|N<2>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|H<1>,2|N<3>}	116.8470	0.000	1	116.8470	0.000	1	116.8470	0.000	1	118.4639	5.780	53	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-2:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]In)(C[6]C[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(OC)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H){1|In<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]In)(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(OC){3|C<3>}	119.7780	0.000	1	119.7780	0.000	1	119.7780	0.000	1	122.1260	11.026	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:P[6]-2:O-2:	C[6](C[6]C[6a]C[6])(C[6]P[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(P[6]C[6])(OSn)	C[6](C[6]C[6a]C[6])(C[6]P[6]O)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,1|P<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(P[6]C[6])(OSn){3|C<3>}	124.4740	0.000	1	124.4740	0.000	1	124.4740	0.000	1	122.1260	11.026	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){2|H<1>,5|C<3>}	123.2060	0.048	2	123.2060	0.002	2	122.7177	0.717	3	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	121.7410	0.000	1	121.7410	0.000	1	122.7177	0.717	3	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NOO){3|C<3>}	118.5180	0.000	1	118.5180	0.000	1	118.5180	0.000	1	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6])(NOO)	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6])(NOO){1|C<3>,2|N<3>}	118.8710	0.000	1	118.8710	0.000	1	118.8710	0.000	1	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]H)	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(NC[6a]H){1|C<4>,2|N<3>}	117.3980	0.000	1	117.3980	0.000	1	117.9803	0.153	11	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|S<1>,2|N<3>}	117.6965	0.289	4	118.0385	0.129	10	117.9803	0.153	11	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){3|N<3>}	118.2398	0.199	4	118.0385	0.129	10	117.9803	0.153	11	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<3>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|N<2>,2|N<3>}	118.3200	0.000	2	118.0385	0.129	10	117.9803	0.153	11	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6a]-3:N[6]-2:C[6]-3:	C[6](C[6]N[5a,6]C[6a])(C[6]C[6a]N[6])(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]H)	C[6](C[6]N[5a,6]C[6a])(C[6]C[6a]N[6])(H){1|N<2>,5|C<3>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[5a,6])(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	120.0035	0.530	2	120.0035	0.281	2	120.0035	0.281	2	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-3:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6])(COO)	C[6](C[6]N[6]C)2(H){1|Mg<6>,1|C<3>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(COO){1|C<3>,1|H<1>,1|N<3>}	117.2340	0.000	1	117.2340	0.000	1	117.2340	0.000	1	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCN)	C[6](C[6]C[6]H)(N[6]C[6])(NCN)	C[6](C[6]N[6]N)2(H){1|Mn<5>,1|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCN){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(NCN){1|H<1>,2|N<3>}	116.6670	0.000	1	116.6670	0.000	1	117.5495	1.558	2	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)2(H){1|Ru<7>,1|C<4>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH){1|N<2>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(NHH){1|Ru<7>,1|S<2>,2|N<3>}	118.4320	0.000	1	118.4320	0.000	1	117.5495	1.558	2	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:N-3:	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]O)(C[6]C[6])(NOO)	C[6](C[6]C[6]N)2(O){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<2>,2|N<3>}	C[6](C[6]C[6]O)(C[6]C[6])(NOO){1|C<3>,2|N<3>}	111.9660	0.000	1	111.9660	0.000	1	111.9660	0.000	1	118.5287	5.328	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]Cl)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|N<2>,2|C<4>}	C[6](C[6]C[6]Cl)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	120.0185	0.108	2	120.0185	0.012	2	120.0185	0.012	2	121.4867	2.038	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|C<3>}	121.7280	0.082	2	121.7280	0.007	2	122.3874	0.309	16	121.4867	2.038	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(CC3){1|C<4>,2|C<3>}	123.2150	0.175	2	123.2150	0.031	2	122.3874	0.309	16	121.4867	2.038	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CC3){1|C<4>,2|C<3>}	122.3593	0.462	12	122.3593	0.214	12	122.3874	0.309	16	121.4867	2.038	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(CC3){3|C<3>}	120.8110	0.000	1	120.8110	0.000	1	120.8110	0.000	1	121.4867	2.038	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]2)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](C[6]C[6]H)(O[6]C[6])(CC3)	C[6](C[6]C[6]2)(C[6]O[6]C)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(C[6]N[6]2){1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(CC3){1|C<4>,2|C<3>}	122.8455	0.456	2	122.8455	0.208	2	122.8455	0.208	2	121.4867	2.038	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]2)(CHH){1|C<2>,1|C<3>,1|C<4>,1|N<2>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>}	120.1270	0.000	1	120.1270	0.000	1	120.1270	0.000	1	121.4867	2.038	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|C<3>}	121.2490	0.027	2	121.5655	0.151	4	121.5655	0.151	4	121.4867	2.038	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,2|N<3>,2|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|C<3>}	121.8820	0.226	2	121.5655	0.151	4	121.5655	0.151	4	121.4867	2.038	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(N[6]C[6])(CC3)	C[6](C[6]N[6]C)2(H){1|Fe<5>,1|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CC3){1|N<3>,2|C<3>}	118.8750	0.000	1	118.8750	0.000	1	119.4325	0.622	2	121.4867	2.038	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|N<3>,1|O<1>}	119.9900	0.000	1	119.9900	0.000	1	119.4325	0.622	2	121.4867	2.038	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H){4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Se<1>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Se<1>,1|C<3>,1|N<3>}	118.6990	0.251	3	118.6990	0.063	3	118.6990	0.063	3	121.4867	2.038	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(Br)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(Br){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]Br){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(O){3|C<3>}	123.8080	0.000	1	123.8080	0.000	1	123.8080	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(Br){1|O<2>,2|C<3>}	120.2520	0.000	1	120.2520	0.000	1	120.2520	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)2(H){1|C<3>,1|N<3>,1|O<1>}	118.1570	0.000	1	118.1570	0.000	1	118.1570	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.8390	0.000	1	120.8390	0.000	1	119.9782	0.465	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)2(H){3|N<3>}	119.8276	0.620	14	119.9275	0.445	17	119.9782	0.465	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)2(H){1|H<1>,2|N<3>}	120.3940	0.815	3	119.9275	0.445	17	119.9782	0.465	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]Br)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	118.5790	0.000	1	118.5790	0.000	1	118.5790	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(Cl)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(Cl){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]Cl)(NHH){1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(O){1|N<3>,2|C<3>}	124.0580	0.000	1	124.0580	0.000	1	124.0580	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,2|C<3>}	125.8510	0.000	1	125.8510	0.000	1	125.8510	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(Cl)	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(Cl){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H){2|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Co)(H){1|H<1>,2|C<3>}	120.5480	0.000	1	120.5480	0.000	1	120.5480	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]N[5])(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N[5])(Cl){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	125.0520	0.000	1	125.0520	0.000	1	125.0520	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[5])(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[5]C[5]2)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]N[5])(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,1|C<4>,1|N<3>}	123.7970	0.000	1	123.7970	0.000	1	123.7970	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]N[6])(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N[6])(Cl){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|H<1>,1|N<3>,3|C<3>}	124.7875	0.135	2	124.7875	0.018	2	124.7875	0.018	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|N<3>}	123.6390	0.000	1	123.6390	0.000	1	123.6390	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Cd)(COO)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Cd)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	119.0350	0.184	2	119.0350	0.034	2	119.2482	0.054	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(COO)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	119.2945	0.272	2	119.2945	0.074	2	119.2482	0.054	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(COO)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(Cl){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]Ni)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	119.4150	0.096	2	119.4150	0.009	2	119.2482	0.054	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(NHH)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|Cu<5>,1|C<3>}	C[6](C[6]C[6]Cl)(N[6]C[6]Cu)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)2(H){1|H<1>,2|N<3>}	121.6230	0.000	1	121.6230	0.000	1	121.1333	0.185	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(Cl){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)2(H){1|H<1>,2|N<3>}	120.8885	0.105	2	120.8885	0.011	2	121.1333	0.185	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	N[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(Cl)	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(Cl){1|C<2>,2|C<3>,2|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	119.9500	0.000	1	119.9500	0.000	1	119.9500	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(COO)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(F){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.8390	0.000	1	122.8390	0.000	1	122.8390	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H)	C[6](C[6]C[6]F)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(F){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]N)(O){1|C<3>,1|F<1>,1|N<3>}	124.8000	0.000	1	124.8000	0.000	1	124.8000	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(F)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(F){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]F){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.9603	0.598	6	121.9603	0.358	6	121.9603	0.358	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(F)	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]F)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(F){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	121.1305	0.478	15	121.1305	0.228	15	121.1305	0.228	15	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-3:N[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(F)	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH)	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(F){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]F)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]F)(H){1|O<1>,2|N<3>}	120.7250	0.000	1	120.7250	0.000	1	120.7250	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(F)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]F)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(F){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]F){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	122.5350	1.174	2	122.5350	1.378	2	122.5350	1.378	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:F-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(F)	C[6](N[6]C[6]Zn)(C[6]C[6]F)(COO)	C[6](C[6]C[6]F)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(F){1|Zn<6>,1|C<3>,1|F<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]F)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]F)2(H){1|C<3>,1|H<1>,1|N<3>}	122.1280	0.025	2	122.1280	0.001	2	122.1280	0.001	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	As-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]As)(C[6]C[6]H)(H)	C[6](AsC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]As)(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](AsC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<3>,1|C<4>,1|N<3>}	119.5110	0.550	2	119.5110	0.303	2	119.4010	0.120	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	As-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]As)(C[6]C[6]H)(H)	C[6](AsC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]As)(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](AsC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<3>,1|C<4>,1|N<3>}	119.2910	0.091	2	119.2910	0.008	2	119.4010	0.120	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](B[6]C[6]N[6])(C[6]B[6]C[6])(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]C[6])(C[6]C[6]H)(H){1|B<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](B[6]C[6]N[6])(C[6]B[6]C[6])(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|B<3>,1|C<3>,1|H<1>}	123.3560	0.498	2	123.3560	0.248	2	123.3560	0.248	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>}	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	122.2640	0.000	1	122.2640	0.000	1	121.5350	1.063	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[6a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](CC[6a]C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|C<3>}	120.8060	0.000	1	120.8060	0.000	1	121.5350	1.063	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[5a]C[6a])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](CC[5a]C[6a])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.5085	0.667	2	117.5085	0.445	2	119.4335	5.128	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[5a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](CC[5a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	121.3585	0.342	2	121.3585	0.117	2	119.4335	5.128	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]O){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	121.4780	0.484	2	121.4780	0.234	2	121.4780	0.234	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,5]C[6])(C[6]C[6]H)(H)	C[6](C[5,5]C[5,5,6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,5]C[5,5,6]2)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	121.6125	0.056	2	121.6125	0.003	2	121.6125	0.003	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(COO)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]H)(COO){1|In<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|In<6>,2|C<3>}	119.8580	0.054	2	119.8580	0.003	2	121.4977	3.830	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	123.7420	0.000	1	123.1375	0.731	2	121.4977	3.830	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>}	122.5330	0.000	1	123.1375	0.731	2	121.4977	3.830	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H){1|N<2>,4|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(O){1|O<2>,4|C<3>}	123.8980	0.000	1	123.8980	0.000	1	123.8980	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]C[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	117.9855	0.489	2	117.9855	0.239	2	119.8165	1.220	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	120.6720	0.000	1	120.6720	0.000	1	119.8165	1.220	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	121.4733	0.335	3	121.4733	0.112	3	119.8165	1.220	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,2|C<3>,2|N<3>}	119.8600	0.000	1	119.8600	0.000	1	119.8165	1.220	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.1420	0.000	1	119.6079	0.849	14	119.8165	1.220	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.2520	0.369	4	119.6079	0.849	14	119.8165	1.220	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	119.2250	0.000	1	119.6079	0.849	14	119.8165	1.220	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	118.1435	0.166	2	119.6079	0.849	14	119.8165	1.220	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.0415	0.703	4	119.6079	0.849	14	119.8165	1.220	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){3|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,2|C<3>}	118.8415	0.899	2	119.6079	0.849	14	119.8165	1.220	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	120.1880	0.079	2	120.1880	0.006	2	119.8165	1.220	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){2|C<3>}	119.7850	0.000	1	119.7850	0.000	1	119.8165	1.220	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	120.7990	0.000	1	120.7990	0.000	1	119.8616	0.544	64	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]O[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5]C[5]O[5])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	121.8530	0.034	2	121.8530	0.001	2	119.8616	0.544	64	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]S[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[5]C[5]S[5])(C[6]C[6]H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9270	0.893	6	119.9270	0.797	6	119.8616	0.544	64	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.8716	0.390	30	119.8759	0.297	36	119.8616	0.544	64	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.8972	1.093	6	119.8759	0.297	36	119.8616	0.544	64	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4605	0.189	2	119.4486	0.447	17	119.8616	0.544	64	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1085	0.641	2	119.4486	0.447	17	119.8616	0.544	64	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5500	0.754	2	119.4486	0.447	17	119.8616	0.544	64	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2890	0.825	8	119.4486	0.447	17	119.8616	0.544	64	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3587	0.350	3	119.4486	0.447	17	119.8616	0.544	64	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.4595	0.530	2	120.4595	0.281	2	119.8616	0.544	64	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]S[5])(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5]C[5]S[5])(C[6]C[6]H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1080	0.800	2	120.1080	0.641	2	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]S[5])(C[6]C[6]H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5]C[5]S[5])(C[6]C[6]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7043	0.989	24	119.7043	0.977	24	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9880	0.526	2	119.0610	1.706	6	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.5975	1.375	4	119.0610	1.706	6	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1955	0.293	2	119.6755	0.188	8	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8010	0.034	2	119.6755	0.188	8	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3528	0.284	4	119.6755	0.188	8	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6850	0.454	2	118.6850	0.206	2	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2420	3.797	2	120.2420	14.418	2	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9690	0.253	2	119.6688	0.266	4	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3685	0.610	2	119.6688	0.266	4	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1160	0.505	2	119.1160	0.255	2	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2290	0.672	2	118.9695	0.426	8	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5520	0.011	2	118.9695	0.426	8	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.5485	0.580	4	118.9695	0.426	8	119.5070	1.050	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.9610	0.000	1	121.9610	0.000	1	120.0717	0.899	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)(N[6]C[6]H){1|Pt<4>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.4410	0.000	1	120.4410	0.000	1	120.0717	0.899	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0570	0.000	1	120.3910	0.090	3	120.0717	0.899	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]C){1|Ir<8>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5580	0.109	2	120.3910	0.090	3	120.0717	0.899	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<6>,2|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]V){1|Cl<1>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8720	0.000	1	118.8135	0.007	2	120.0717	0.899	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(N[6]C[6]V){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7550	0.000	1	118.8135	0.007	2	120.0717	0.899	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1380	0.000	1	119.1380	0.000	1	120.0717	0.899	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4980	0.103	2	120.1497	0.369	3	120.0717	0.899	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(N[6]C[6]O){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.4530	0.000	1	120.1497	0.369	3	120.0717	0.899	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H)	C[6](C[5]C[5]S[5])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|S<3>,3|C<3>}	C[6](C[5]C[5]S[5])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.1280	0.000	1	119.1280	0.000	1	119.2233	0.210	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6,6]Ru)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.2550	0.556	3	119.2550	0.309	3	119.2233	0.210	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|H<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6,6a]H)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.9620	0.000	1	120.9620	0.000	1	120.9620	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2010	0.000	1	119.6340	0.185	3	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8505	0.296	2	119.6340	0.185	3	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6940	0.369	2	119.6940	0.136	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2940	0.184	3	119.2618	0.027	4	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1650	0.000	1	119.2618	0.027	4	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4110	0.989	2	119.4110	0.977	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8900	0.000	1	119.8900	0.000	1	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5,6]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2975	0.330	2	119.2975	0.109	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|S<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5733	0.964	12	119.5441	0.659	17	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1730	0.000	1	119.5441	0.659	17	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|P<5>,2|C<3>}	C[6](C[5]C[5,6]P[5])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5493	0.235	4	119.5441	0.659	17	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]P[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[5]C[5,6]P[5])(N[6]C[6]Pd)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2670	0.000	1	119.2670	0.000	1	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]P[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[5]C[5,6]P[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4985	0.354	2	120.4985	0.126	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5440	0.000	1	119.8058	0.504	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0710	0.509	3	119.8058	0.504	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|Ru<8>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|C<3>,1|N<3>}	119.8270	0.000	1	119.8058	0.504	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2510	0.000	1	119.8058	0.504	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ag)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3669	0.362	9	119.1705	0.362	11	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ag)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2870	0.817	2	119.1705	0.362	11	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4500	0.000	1	119.2879	0.245	10	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0780	0.000	1	119.2879	0.245	10	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4490	0.000	1	119.2879	0.245	10	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1289	0.318	7	119.2879	0.245	10	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5150	0.000	1	119.1684	0.680	8	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6955	0.356	2	119.1684	0.680	8	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6153	0.987	4	119.1684	0.680	8	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9800	0.000	1	119.1684	0.680	8	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9657	0.623	3	118.9473	0.409	53	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4301	0.516	12	118.9473	0.409	53	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2048	0.501	10	118.9473	0.409	53	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	118.4570	0.000	1	118.9473	0.409	53	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7073	0.598	4	118.9473	0.409	53	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2316	0.681	18	118.9473	0.409	53	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|S<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8555	0.527	2	118.9473	0.409	53	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9787	0.353	3	118.9473	0.409	53	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Eu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3468	0.304	4	118.3468	0.093	4	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0190	0.000	1	118.4458	0.457	166	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.1872	0.149	9	118.4458	0.457	166	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6065	0.582	11	118.4458	0.457	166	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5286	0.422	5	118.4458	0.457	166	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1355	0.491	19	118.4458	0.457	166	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3643	0.524	109	118.4458	0.457	166	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6365	0.402	4	118.4458	0.457	166	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.7687	1.767	8	118.4458	0.457	166	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9254	0.234	7	119.1751	1.156	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3761	1.402	18	119.1751	1.156	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3960	0.000	1	119.1751	1.156	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7770	0.386	2	119.1751	1.156	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8873	0.113	3	119.1751	1.156	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3310	0.000	1	119.1751	1.156	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8820	0.307	2	119.1751	1.156	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Li)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5970	0.000	1	119.5970	0.000	1	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6780	0.000	1	118.9031	0.140	10	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9281	0.389	9	118.9031	0.140	10	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7452	0.241	5	118.7938	0.061	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Mo)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0370	0.000	1	118.7938	0.061	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Nd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Nd<12>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Nd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4760	0.080	3	119.4760	0.006	3	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.2930	0.000	1	118.7427	0.358	9	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3150	0.291	2	118.7427	0.358	9	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0724	0.622	5	118.7427	0.358	9	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3990	0.000	1	118.7427	0.358	9	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Os)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5810	0.000	1	118.5810	0.000	1	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1065	0.639	2	119.4632	0.593	16	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9054	0.267	5	119.4632	0.593	16	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.2480	0.000	1	119.4632	0.593	16	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.7060	0.103	2	119.4632	0.593	16	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9640	0.555	4	119.4632	0.593	16	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|Pd<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5775	0.613	2	119.4632	0.593	16	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6028	0.410	4	118.2393	1.098	35	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.3241	1.291	9	118.2393	1.098	35	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1815	0.262	2	118.2393	1.098	35	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5842	0.826	20	118.2393	1.098	35	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|N<3>,3|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.1755	0.231	2	119.1755	0.053	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3360	0.000	1	119.0659	0.262	12	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1205	0.582	6	119.0659	0.262	12	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8982	0.570	4	119.0659	0.262	12	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1390	0.000	1	119.0659	0.262	12	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8290	0.375	2	118.5918	0.170	5	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2770	0.454	2	118.5918	0.170	5	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7470	0.000	1	118.5918	0.170	5	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2030	0.000	1	118.9591	0.257	39	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2403	0.524	7	118.9591	0.257	39	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2920	0.614	2	118.9591	0.257	39	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9793	0.513	12	118.9591	0.257	39	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7209	0.516	8	118.9591	0.257	39	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7240	0.000	1	118.9591	0.257	39	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5910	0.311	4	118.9591	0.257	39	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5640	0.000	1	118.9591	0.257	39	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2553	0.447	3	118.9591	0.257	39	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Sm<13>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Sm)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2465	0.392	4	119.2465	0.154	4	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.1801	0.271	13	118.4954	0.207	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0650	0.000	1	118.4954	0.207	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7448	0.372	9	118.4954	0.207	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2020	0.000	1	118.4954	0.207	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5645	0.467	6	118.4954	0.207	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9730	0.000	1	118.4954	0.207	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0570	0.350	3	118.4954	0.207	34	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|S<3>,2|C<3>}	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6925	0.538	2	118.9465	0.230	4	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|S<3>,2|C<3>}	C[6](C[5]C[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2005	0.377	2	118.9465	0.230	4	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]S[5])(N[6]C[6]Yb)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Yb<12>,1|H<1>,1|S<3>,2|C<3>}	C[6](C[5]C[5]S[5])(N[6]C[6]Yb)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8900	0.000	1	118.8900	0.000	1	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]S[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5]C[5]S[5])(N[6]C[6]Zn)(C[6]C[6]H){2|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.4130	0.000	1	121.4130	0.000	1	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9370	0.000	1	118.5463	2.215	4	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Cd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7493	1.754	3	118.5463	2.215	4	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6390	0.000	1	118.3790	0.395	3	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2490	0.830	2	118.3790	0.395	3	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6607	0.235	3	118.6313	0.528	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9880	0.000	1	118.6313	0.528	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9090	1.400	2	118.6313	0.528	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0230	0.000	1	118.2270	0.425	4	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5,6]N[5])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9617	0.464	3	118.2270	0.425	4	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7700	0.000	1	118.7700	0.000	1	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[5]N[5,6a]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8850	0.000	1	118.8850	0.000	1	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ag)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8173	0.619	4	118.8173	0.383	4	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.4490	0.417	2	117.7761	0.210	11	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	116.9710	0.000	1	117.7761	0.210	11	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.6423	0.133	3	117.7761	0.210	11	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.1482	0.268	5	117.7761	0.210	11	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.2120	0.581	2	118.5910	1.169	22	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	116.7885	1.278	2	118.5910	1.169	22	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2418	0.791	6	118.5910	1.169	22	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6220	1.043	8	118.5910	1.169	22	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6880	0.195	2	118.5910	1.169	22	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.5990	0.085	2	118.5910	1.169	22	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3570	1.288	6	118.1932	0.545	102	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.1868	0.700	93	118.1932	0.545	102	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.0643	0.834	3	118.1932	0.545	102	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.9780	3.987	2	119.0778	5.965	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5310	0.000	1	119.0778	5.965	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	116.6520	0.000	1	119.0778	5.965	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<9>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6640	0.431	2	119.0778	5.965	6	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.7740	0.040	2	117.7740	0.002	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4200	1.076	4	117.6609	0.667	13	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.4340	0.191	3	117.6609	0.667	13	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.3050	0.000	1	117.6609	0.667	13	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.3160	0.955	2	117.6609	0.667	13	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	116.9280	0.000	1	117.6609	0.667	13	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.4690	0.000	1	117.6609	0.667	13	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.2760	0.000	1	117.6609	0.667	13	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.5253	0.979	11	117.5253	0.957	11	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6660	1.184	3	118.6660	1.402	3	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2220	0.000	1	118.0985	0.031	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9750	0.000	1	118.0985	0.031	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.4280	0.000	1	118.0290	0.722	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6300	0.000	1	118.0290	0.722	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.6290	0.412	2	117.6290	0.169	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.0030	0.655	2	118.0030	0.429	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.9883	0.215	3	118.3475	0.820	13	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3430	0.403	2	118.3475	0.820	13	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.5725	0.221	2	118.3475	0.820	13	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7113	0.324	3	118.3475	0.820	13	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8623	1.809	3	118.3475	0.820	13	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.0025	0.312	2	118.4812	0.209	11	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6040	0.449	8	118.4812	0.209	11	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4560	0.000	1	118.4812	0.209	11	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3125	0.211	4	118.6604	0.114	11	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8591	0.202	7	118.6604	0.114	11	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6040	0.000	1	118.6040	0.000	1	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7410	0.279	3	118.7410	0.078	3	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7340	0.132	3	118.7340	0.017	3	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.0660	0.000	1	118.0660	0.000	1	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1695	0.583	4	119.1695	0.340	4	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	116.6425	0.060	2	116.6425	0.004	2	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]Se[5]C[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|Se<2>,1|H<1>,2|C<3>}	C[6](C[5]Se[5]C[5])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2347	0.157	3	119.2347	0.025	3	118.6271	0.756	762	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(O)	C[6](C[6]C[5a,6]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(NCC){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(O){1|C<3>,2|N<3>}	122.5450	0.675	2	122.5450	0.455	2	122.5450	0.455	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]N)(C[6]N[6]H)(H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO)	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO){1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	120.4940	0.000	1	120.4940	0.000	1	120.4940	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(H){2|C<3>}	119.6430	0.000	1	119.6430	0.000	1	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	120.2030	0.000	1	120.2030	0.000	1	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.3023	0.278	4	120.3023	0.077	4	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){2|C<3>}	120.9510	0.000	1	120.9510	0.000	1	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.2525	0.262	2	119.2993	0.693	15	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	118.3990	0.000	1	119.2993	0.693	15	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	119.5010	0.000	1	119.2993	0.693	15	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	118.7170	0.000	1	119.2993	0.693	15	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	118.4600	0.055	2	119.2993	0.693	15	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	118.6950	0.000	1	119.2993	0.693	15	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.3750	0.000	1	119.2993	0.693	15	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.3980	0.000	1	119.2993	0.693	15	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	119.0055	0.309	2	119.2993	0.693	15	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.3700	0.000	1	119.2993	0.693	15	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	118.2680	0.000	1	119.2993	0.693	15	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.3310	0.000	1	119.2993	0.693	15	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	120.9445	0.071	2	120.9445	0.005	2	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5950	0.520	2	120.5950	0.271	2	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	117.8070	0.000	1	118.7210	1.942	3	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	118.0310	0.000	1	118.7210	1.942	3	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.3250	0.000	1	118.7210	1.942	3	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){2|C<3>}	119.8380	0.000	1	119.8380	0.000	1	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|S<2>,2|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	118.3930	0.000	1	118.3930	0.000	1	119.6442	0.966	31	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	123.1240	0.000	1	123.1240	0.000	1	123.1240	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a,6]N[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a,6]N[5a])(C[6]C[6]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3950	1.100	2	120.3950	1.211	2	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7255	0.172	2	119.6776	0.200	20	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5463	0.121	6	119.6776	0.200	20	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9065	0.182	2	119.6776	0.200	20	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7011	0.619	10	119.6776	0.200	20	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.1765	0.644	2	121.1765	0.415	2	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1715	0.660	4	120.1715	0.435	4	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.6345	0.145	2	119.9193	0.360	4	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.2040	0.857	2	119.9193	0.360	4	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1775	0.532	4	119.4358	0.278	42	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7157	0.617	6	119.4358	0.278	42	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7355	0.655	2	119.4358	0.278	42	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8320	0.256	2	119.4358	0.278	42	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5572	0.547	12	119.4358	0.278	42	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2785	0.453	4	119.4358	0.278	42	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1655	0.499	6	119.4358	0.278	42	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2285	0.396	6	119.4358	0.278	42	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.2535	0.252	8	120.2535	0.064	8	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8006	0.896	24	118.8006	0.802	24	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	120.2188	0.633	33	120.2188	0.401	33	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	122.2215	0.767	2	122.2215	0.589	2	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2995	0.501	4	119.3713	0.170	6	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5150	0.178	2	119.3713	0.170	6	119.6905	0.725	147	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3830	0.093	2	119.3830	0.009	2	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0273	2.397	4	120.0273	5.744	4	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){3|C<3>}	119.4415	0.699	2	119.4415	0.489	2	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1230	1.118	4	120.1230	1.250	4	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.4230	0.321	2	121.4230	0.103	2	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0787	0.257	4	119.0787	0.066	4	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7415	0.401	2	119.7415	0.161	2	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3715	0.309	2	119.3715	0.095	2	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8394	0.481	12	118.8394	0.231	12	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8955	0.435	2	118.8955	0.189	2	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.5455	0.095	2	118.5455	0.009	2	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1940	0.508	4	120.1940	0.258	4	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4975	0.295	2	119.4975	0.087	2	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.4790	0.165	2	118.4790	0.027	2	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1510	0.383	2	119.1510	0.147	2	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.7190	0.451	2	118.7190	0.204	2	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8480	0.362	2	118.8480	0.131	2	119.3607	0.985	52	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)(N[6]C[6]B){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.4375	0.267	2	121.4375	0.071	2	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]C){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.1210	0.000	1	121.1210	0.000	1	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9443	1.441	6	119.8064	1.560	8	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5900	0.000	1	119.8064	1.560	8	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1950	0.000	1	119.8064	1.560	8	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.9957	0.513	3	121.9957	0.264	3	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0655	0.401	4	120.0655	0.161	4	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9600	0.000	1	119.4136	0.416	12	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7128	0.865	5	119.4136	0.416	12	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8890	0.000	1	119.4136	0.416	12	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0567	0.246	4	119.4136	0.416	12	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3230	0.000	1	119.4136	0.416	12	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.3860	0.000	1	122.1070	1.040	2	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[5a]N[5a]2)(C[6]C[6]H)(N[6]C[6]O){1|Mn<6>,1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	122.8280	0.000	1	122.1070	1.040	2	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6220	0.000	1	119.6220	0.000	1	120.1665	1.485	33	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]Pd)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	120.0710	0.000	1	120.0710	0.000	1	120.0385	0.265	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.8805	0.537	4	119.8805	0.289	4	120.0385	0.265	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6]Ru)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	120.6380	0.000	1	120.6380	0.000	1	120.0385	0.265	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]Cu)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.6280	0.000	1	120.6280	0.000	1	120.7392	0.283	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.7980	0.000	1	120.7980	0.000	1	120.7392	0.283	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|N<2>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5a]N[5a]O[5a])(N[6]C[6,6a]O)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.7655	0.911	2	120.7655	0.831	2	120.7392	0.283	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4270	0.000	1	120.4270	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,3|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0580	1.399	2	119.0580	1.956	2	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.6040	0.421	3	120.6040	0.177	3	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[5a]C[5a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.9783	1.068	3	120.9783	1.140	3	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ag<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0650	0.000	1	120.0650	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Al<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Al)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6890	0.000	1	118.6890	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9575	0.152	2	118.9575	0.023	2	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1680	0.000	1	118.8592	3.796	19	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3570	0.000	1	118.8592	3.796	19	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0620	0.000	1	118.8592	3.796	19	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0550	0.000	1	118.8592	3.796	19	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7495	0.456	2	118.8592	3.796	19	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4070	0.776	2	118.8592	3.796	19	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<5>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3135	1.262	2	118.8592	3.796	19	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0926	0.367	5	118.8592	3.796	19	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.1160	7.429	2	118.8592	3.796	19	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<5>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5240	0.645	2	118.8592	3.796	19	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.6300	0.105	2	119.4424	0.996	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.8020	0.000	1	119.4424	0.996	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2785	0.059	2	119.4424	0.996	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.0610	0.000	1	119.4424	0.996	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4170	0.000	1	119.4424	0.996	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3150	0.000	1	119.8294	0.215	16	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7181	0.472	9	119.8294	0.215	16	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7570	0.000	1	119.8294	0.215	16	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7660	0.000	1	119.8294	0.215	16	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1130	0.932	2	119.8294	0.215	16	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8715	0.237	2	119.8294	0.215	16	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3110	0.000	1	119.3110	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4830	0.388	3	119.5726	1.401	13	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5417	0.274	3	119.5726	1.401	13	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4777	0.303	3	119.5726	1.401	13	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4843	1.790	4	119.5726	1.401	13	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.1385	0.548	2	119.4190	0.510	14	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0663	0.267	3	119.4190	0.510	14	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8645	0.440	4	119.4190	0.510	14	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<7>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5070	0.000	1	119.4190	0.510	14	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8563	0.674	4	119.4190	0.510	14	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0571	0.408	15	119.7512	0.453	26	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.8010	0.000	1	119.7512	0.453	26	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0498	0.375	4	119.7512	0.453	26	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7470	0.000	1	119.7512	0.453	26	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3640	0.168	2	119.7512	0.453	26	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6920	0.000	1	119.7512	0.453	26	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7540	0.471	2	119.7512	0.453	26	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4285	0.762	2	118.9337	0.889	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7435	0.510	2	118.9337	0.889	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9453	0.347	6	118.9337	0.889	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6390	0.541	6	118.9337	0.889	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9450	0.000	1	118.9337	0.889	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.2005	0.677	2	118.9337	0.889	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3370	1.027	3	118.9337	0.889	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5255	1.458	4	118.9337	0.889	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9020	0.000	1	118.9337	0.889	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.4120	0.000	1	120.4120	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4680	0.000	1	120.4680	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5620	0.000	1	119.6899	0.259	13	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9625	0.032	2	119.6899	0.259	13	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6482	0.571	10	119.6899	0.259	13	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Sn<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Sn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1099	1.250	14	119.1401	1.227	18	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Sn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Sn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2460	0.405	4	119.1401	1.227	18	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1755	0.644	2	119.7403	0.464	4	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9740	0.000	1	119.7403	0.464	4	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6360	0.000	1	119.7403	0.464	4	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1950	0.000	1	119.5950	0.720	2	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9950	0.000	1	119.5950	0.720	2	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Au)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3020	0.000	1	120.3020	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9387	0.606	18	119.9240	0.316	21	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8360	0.141	3	119.9240	0.316	21	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2716	0.867	8	119.2716	0.751	8	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.5640	0.042	2	119.5640	0.002	2	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6414	0.478	8	119.3081	0.567	21	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7184	0.577	13	119.3081	0.567	21	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1210	0.000	1	120.1210	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4190	0.314	2	118.4000	0.050	3	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Al<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3620	0.000	1	118.4000	0.050	3	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cd)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.9860	0.000	1	118.9860	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7180	0.000	1	118.7868	0.287	14	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.8170	0.000	1	118.7868	0.287	14	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1080	0.000	1	118.7868	0.287	14	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4545	0.253	6	118.7868	0.287	14	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3290	0.237	5	118.7868	0.287	14	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4180	0.000	1	118.5827	0.202	12	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5140	0.266	5	118.5827	0.202	12	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4570	0.000	1	118.5827	0.202	12	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8473	0.387	3	118.5827	0.202	12	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.0920	0.000	1	118.5827	0.202	12	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9140	0.000	1	118.5827	0.202	12	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3565	0.221	2	118.4644	2.080	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.8085	3.759	4	118.4644	2.080	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6715	0.415	2	118.4644	2.080	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6610	0.000	1	118.4644	2.080	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4340	0.000	1	118.4644	2.080	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4174	0.094	5	118.4644	2.080	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Fe<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2556	0.640	12	118.4644	2.080	27	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Ir<6>,1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.6330	0.000	1	118.6330	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6867	0.997	3	119.2252	0.539	24	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0602	0.703	18	119.2252	0.539	24	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7537	0.158	3	119.2252	0.539	24	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6890	0.175	2	118.7761	0.283	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4370	0.457	2	118.7761	0.283	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6895	0.378	2	118.7761	0.283	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.8020	0.000	1	118.7761	0.283	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6470	0.000	1	118.6470	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Os)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3697	0.526	4	119.1298	0.444	6	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6500	0.836	2	119.1298	0.444	6	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9465	0.472	2	118.9465	0.222	2	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<3>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.9805	0.118	2	117.9581	0.034	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.9492	0.218	5	117.9581	0.034	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8050	0.000	1	118.8050	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.1164	0.480	5	118.3409	0.309	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0620	0.000	1	118.3409	0.309	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7420	0.000	1	118.3409	0.309	7	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.6690	0.000	1	118.5537	0.200	9	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5150	0.224	3	118.5537	0.200	9	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7930	0.400	2	118.5537	0.200	9	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4640	0.000	1	118.5537	0.200	9	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8595	0.490	2	118.5537	0.200	9	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.5700	0.000	1	118.5700	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5a]N[5a]O[5a])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.5230	0.000	1	118.5230	0.000	1	119.2001	1.069	353	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(NHH)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	121.0340	0.000	1	121.0340	0.000	1	120.1195	1.673	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(NFeC)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(NFeC){1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	119.2050	0.000	1	119.2050	0.000	1	120.1195	1.673	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OCu2)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]H)(OCu2){1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|O<3>,2|C<3>}	119.4690	0.000	1	119.4690	0.000	1	119.4690	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6,6])(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]H){3|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){3|C<3>}	123.0630	0.000	1	123.0630	0.000	1	123.0630	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){3|C<3>}	121.0981	0.411	7	121.0981	0.169	7	120.5041	0.542	30	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5]C)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5]C){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){3|C<3>}	121.2340	0.000	1	121.2340	0.000	1	120.5041	0.542	30	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5a]2)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CC[5a]2){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){3|C<3>}	119.7207	0.134	3	119.7207	0.018	3	120.5041	0.542	30	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHN)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHN){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	120.5664	0.621	10	120.5664	0.385	10	120.5041	0.542	30	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHO)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHO){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){3|C<3>}	119.6650	0.000	1	119.6650	0.000	1	120.5041	0.542	30	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	119.9414	0.359	7	119.9414	0.129	7	120.5041	0.542	30	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){3|C<3>}	122.1220	0.000	1	122.1220	0.000	1	120.5041	0.542	30	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6])(C[6]N[6]H)(H){1|Pd<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a,6]2)(C[6]C[6]H){2|H<1>,3|N<3>,4|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){3|C<3>}	120.5740	0.000	1	120.5740	0.000	1	120.5740	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[3x6]H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|N<3>,2|C<3>}	123.4570	0.000	1	123.4570	0.000	1	123.4570	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NCH){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	120.2903	0.199	4	120.2903	0.039	4	120.0889	0.649	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	120.7875	0.050	2	120.7875	0.003	2	120.0889	0.649	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHN){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	119.5744	0.238	7	119.5744	0.057	7	120.0889	0.649	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	120.4760	0.467	2	119.8633	1.235	3	120.0889	0.649	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NOO){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	118.6380	0.000	1	119.8633	1.235	3	120.0889	0.649	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(NCC)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|N<2>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(NCC){1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	122.1650	0.000	1	122.1650	0.000	1	120.0889	0.649	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	120.6065	0.097	2	120.6065	0.009	2	120.6065	0.009	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Cu<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){3|C<3>}	120.4603	0.291	8	120.4603	0.085	8	121.0569	0.504	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){3|C<3>}	120.3025	0.155	2	120.3025	0.024	2	121.0569	0.504	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Hg<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(H){3|C<3>}	120.7035	1.259	2	120.7035	1.586	2	121.0569	0.504	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ir<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){3|C<3>}	121.6940	0.720	2	121.6940	0.518	2	121.0569	0.504	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Mo<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]Mo)(C[6]C[6]H)(H){3|C<3>}	120.7645	0.016	2	120.7645	0.000	2	121.0569	0.504	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Os<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H){3|C<3>}	120.9780	0.344	4	120.9780	0.119	4	121.0569	0.504	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Pt<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){3|C<3>}	121.6746	0.550	14	121.6746	0.303	14	121.0569	0.504	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ru<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){3|C<3>}	120.5875	0.459	2	120.9490	0.245	4	121.0569	0.504	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Ru<8>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){3|C<3>}	121.3105	0.045	2	120.9490	0.245	4	121.0569	0.504	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(H){1|Sn<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]Sn)(C[6]C[6]H)(H){3|C<3>}	120.2565	0.015	2	120.2565	0.000	2	121.0569	0.504	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:S-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]S)(H){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|S<1>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(S){3|C<3>}	123.0895	0.344	2	123.0895	0.119	2	123.0895	0.119	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]N[5a])(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]N[5a])(C[6]C[6]O)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|N<3>,2|C<3>}	121.7370	0.000	1	121.7370	0.000	1	121.7370	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[5a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N[5a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[5a])(C[6]N[6]H)(H){1|Ir<8>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(N[5a]C[5a]N[5a])(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	119.2580	0.000	1	119.2580	0.000	1	120.2010	0.709	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[5a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N[5a])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[5a])(C[6]N[6]H)(H){1|Pt<4>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(N[5a]C[5a,6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,6|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	120.6725	0.289	2	120.6725	0.084	2	120.2010	0.709	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]N[6])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[6])(C[6]N[6]H)(H){1|Pt<4>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(N[6]C[6,6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,6|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	120.6900	0.000	1	120.6900	0.000	1	120.6900	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6,6a]H)(H){1|O<1>,2|C<3>,2|S<2>}	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|C<3>}	120.8100	0.000	1	120.8100	0.000	1	120.8100	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<2>,1|C<4>,2|N<3>}	C[6](C[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>}	119.8220	0.000	1	119.8220	0.000	1	119.8220	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|C<4>,2|N<3>}	C[6](C[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.5640	0.000	1	119.5640	0.000	1	119.5640	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[5a]N[5a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6]C[6a]N[6])(C[5a]N[5a]2)(C[6]C[6]H){1|Pt<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	119.4660	0.000	1	119.4660	0.000	1	119.4660	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|B<3>,3|C<3>}	119.9480	0.000	1	119.9480	0.000	1	120.1585	0.089	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|C<4>}	120.3690	0.000	1	120.3690	0.000	1	120.1585	0.089	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CCH)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CCH){1|B<4>,1|C<3>,1|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,4|C<3>}	121.0740	0.000	1	121.0740	0.000	1	121.0740	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>}	121.5550	0.000	1	121.5550	0.000	1	121.5550	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Br){1|H<1>,2|C<3>}	119.2490	0.000	1	119.2490	0.000	1	119.6660	0.852	22	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Br){1|H<1>,2|C<3>}	120.5801	0.518	7	120.0527	0.565	15	119.6660	0.852	22	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)2(Br){1|O<2>,2|C<3>}	118.9340	0.539	2	120.0527	0.565	15	119.6660	0.852	22	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Br<1>,1|C<3>}	C[6](C[6]C[6]H)2(Br){1|Br<1>,2|C<3>}	119.8102	0.491	6	120.0527	0.565	15	119.6660	0.852	22	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]H)2(Br){1|Br<1>,2|C<3>}	120.1870	0.000	1	120.1870	0.000	1	119.6660	0.852	22	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|H<1>,2|C<3>}	118.2630	0.000	1	118.2630	0.000	1	119.6660	0.852	22	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(Br){1|C<4>,2|C<3>}	118.6640	0.433	2	118.6640	0.187	2	119.6660	0.852	22	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Br<1>,1|Zn<6>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(Br){1|Zn<6>,2|C<3>}	118.4180	0.122	2	118.4180	0.015	2	119.6660	0.852	22	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	120.9925	0.161	2	120.9925	0.026	2	120.1663	0.307	15	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|H<1>,2|C<3>}	120.7395	0.334	2	120.7395	0.112	2	120.1663	0.307	15	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|H<1>,2|C<3>}	119.8220	0.372	5	119.9119	0.142	11	120.1663	0.307	15	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,2|C<3>}	119.9868	0.398	6	119.9119	0.142	11	120.1663	0.307	15	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]C)(C[6]C[6]F)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|F<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(F){1|Co<6>,2|C<3>}	117.3430	0.000	1	117.3430	0.000	1	117.3430	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	120.8980	0.761	2	121.1515	0.283	4	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	121.4050	0.120	2	121.1515	0.283	4	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	121.6460	0.000	1	121.6460	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH){1|Ru<8>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|H<2>,2|C<3>}	121.6005	0.699	2	121.6005	0.489	2	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	122.2405	0.554	2	121.1877	1.812	4	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	119.5450	0.000	1	121.1877	1.812	4	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	120.7250	0.000	1	121.1877	1.812	4	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	122.8375	0.400	2	122.8375	0.160	2	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]N)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	122.1480	0.033	2	122.1480	0.001	2	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	122.7100	0.000	1	122.6330	0.124	5	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	122.6137	0.403	4	122.6330	0.124	5	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	121.4940	0.000	1	121.8068	0.152	18	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	121.8252	0.393	17	121.8068	0.152	18	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|F<1>,2|C<3>}	121.1080	0.000	1	120.6328	0.438	55	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	121.4180	0.139	2	120.6328	0.438	55	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|O<2>,2|C<3>}	120.2888	0.311	31	120.6328	0.438	55	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	121.1527	0.727	19	120.6328	0.438	55	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){3|C<3>}	120.2990	0.000	1	120.6328	0.438	55	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){2|C<3>,2|H<1>}	119.7070	0.000	1	120.6328	0.438	55	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|O<1>,2|C<3>}	120.8810	0.000	1	121.6264	0.256	9	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	121.6569	0.448	7	121.6264	0.256	9	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){3|C<3>}	122.1590	0.000	1	121.6264	0.256	9	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	121.7170	0.000	1	121.7415	0.001	2	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){3|C<3>}	121.7660	0.000	1	121.7415	0.001	2	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	119.7800	0.000	1	120.2289	0.833	11	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	120.4603	1.100	3	120.2289	0.833	11	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	120.3560	0.615	2	120.2289	0.833	11	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<6>,2|C<3>}	121.5910	0.000	1	120.2289	0.833	11	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	119.9560	0.008	2	120.2289	0.833	11	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	118.5070	0.000	1	120.2289	0.833	11	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	120.6350	0.000	1	120.2289	0.833	11	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CBrC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CBrC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.7440	0.000	2	120.7440	0.000	2	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	120.1465	0.237	2	119.7811	0.844	20	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	119.4900	0.000	1	119.7811	0.844	20	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	119.0220	0.337	4	119.7811	0.844	20	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	119.4580	0.222	2	119.7811	0.844	20	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	118.9320	0.260	2	119.7811	0.844	20	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	120.6989	0.801	7	119.7811	0.844	20	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	119.0400	0.608	2	119.7811	0.844	20	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.9610	0.081	2	120.3042	0.605	4	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,2|C<3>}	119.8530	0.000	1	120.3042	0.605	4	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	119.4420	0.000	1	120.3042	0.605	4	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	118.8130	0.000	1	118.7424	1.142	7	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	119.5580	0.444	2	118.7424	1.142	7	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	118.5590	0.000	1	118.7424	1.142	7	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	117.9620	0.000	1	118.7424	1.142	7	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	118.3735	2.099	2	118.7424	1.142	7	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5a]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	118.9750	0.000	1	118.9750	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.5300	0.000	1	119.5300	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	119.1585	0.172	4	119.3359	0.695	8	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	118.9760	0.000	1	119.3359	0.695	8	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){3|C<3>}	121.0410	0.000	1	119.3359	0.695	8	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	118.1770	0.000	1	119.3359	0.695	8	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	119.8590	0.000	1	119.3359	0.695	8	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CClO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	118.9670	0.000	1	118.9670	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.3620	0.131	3	119.6387	2.264	18	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	119.0000	0.000	1	119.6387	2.264	18	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	119.0450	0.000	1	119.6387	2.264	18	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	119.5860	0.000	1	119.6387	2.264	18	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,2|C<3>}	119.8889	2.324	7	119.6387	2.264	18	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<5>,2|C<3>}	119.4105	1.141	2	119.6387	2.264	18	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	118.4840	0.000	1	119.6387	2.264	18	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	119.2470	0.000	1	119.6387	2.264	18	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,2|C<3>}	119.0060	0.000	1	119.6387	2.264	18	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	118.5540	0.000	1	118.8243	0.057	3	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,2|C<3>}	118.9595	0.060	2	118.8243	0.057	3	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.8740	0.000	1	119.8740	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	119.6230	0.000	1	119.6230	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	119.3820	0.577	23	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.1109	0.630	28	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	120.2375	1.828	2	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,2|C<3>}	119.3370	0.000	1	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	118.8750	0.966	28	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	119.3024	0.368	8	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<8>,2|C<3>}	119.5320	0.000	1	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){3|C<3>}	119.8090	0.000	1	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,2|C<3>}	119.8106	1.069	5	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	118.7989	0.441	7	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<7>,2|C<3>}	118.7980	0.000	1	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	118.7973	0.369	13	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	119.3000	1.010	5	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	119.7185	0.484	4	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	119.0480	0.896	11	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	118.3650	0.408	5	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,2|C<3>}	119.6640	0.049	2	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,2|C<3>}	119.0613	0.388	4	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	118.5250	0.353	4	119.2887	0.725	153	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNS)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.3055	0.981	2	120.3055	0.962	2	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	118.8990	0.161	2	118.8990	0.026	2	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]O)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	119.9950	0.000	1	119.9950	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	119.1775	0.259	4	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	119.1760	0.543	8	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,2|C<3>}	118.7210	0.000	1	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	119.6103	0.315	4	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	119.0228	0.430	5	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	119.9230	0.416	2	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,2|C<3>}	118.7240	0.148	2	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	119.2142	0.377	11	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	119.3430	0.000	1	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,2|C<3>}	119.2610	0.112	2	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	119.9740	0.151	2	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,2|C<3>}	119.2220	0.191	2	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,2|C<3>}	119.9800	0.000	1	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,2|C<3>}	118.6255	0.415	2	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	119.1923	0.521	4	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	119.5875	0.251	2	119.2543	0.216	53	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	119.4157	0.465	17	119.5949	0.476	89	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	119.3065	0.293	2	119.5949	0.476	89	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|O<2>,2|C<3>}	119.4480	0.372	2	119.5949	0.476	89	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.8335	0.594	35	119.5949	0.476	89	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	119.1520	0.000	1	119.5949	0.476	89	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	118.6650	0.000	1	119.5949	0.476	89	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	119.8540	0.191	4	119.5949	0.476	89	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	119.2500	0.000	1	119.5949	0.476	89	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,2|C<3>}	119.6017	1.002	19	119.5949	0.476	89	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	119.6220	0.000	1	119.5949	0.476	89	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,2|C<3>}	118.4470	0.078	2	119.5949	0.476	89	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	119.1923	0.429	4	119.5949	0.476	89	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<8>,2|C<3>}	119.3710	0.000	1	119.9280	0.269	3	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	120.3960	0.000	1	119.9280	0.269	3	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,2|C<3>}	120.0170	0.000	1	119.9280	0.269	3	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	121.6504	0.537	17	121.6504	0.288	17	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	122.5002	0.516	5	121.4638	3.071	9	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|Re<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<5>,2|C<3>}	119.6955	3.181	2	121.4638	3.071	9	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,2|C<3>}	120.6410	0.636	2	121.4638	3.071	9	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CSS)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(CSS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){3|C<3>}	122.3210	0.000	1	122.3210	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]P)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.2795	0.243	2	120.2795	0.059	2	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	122.3410	0.000	1	122.3410	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	121.4330	0.661	3	120.8853	0.478	7	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,2|C<3>}	120.1880	0.307	2	120.8853	0.478	7	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>}	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.7610	0.000	2	120.8853	0.478	7	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(COO)	C[6](C[6]C[6]H)(C[6]P[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|P<3>}	C[6](C[6]C[6]H)(C[6]P[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]P[6]O)(H){1|Cu<4>,2|C<3>}	124.0460	0.000	1	124.0460	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|C<3>}	120.4790	0.506	2	120.4790	0.256	2	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|C<3>}	121.1600	0.354	2	121.1600	0.125	2	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|C<3>}	119.8000	0.027	2	119.8000	0.001	2	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[3]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CC[3]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|C<3>}	121.3500	0.000	1	121.3500	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|C<3>}	121.2680	0.000	1	121.2680	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]N){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){2|C<3>,2|H<1>}	119.9430	0.000	1	119.9430	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<3>}	120.8110	0.000	1	121.3735	2.457	15	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	121.4136	1.619	14	121.3735	2.457	15	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	120.0790	0.000	1	120.0352	0.104	5	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	119.8270	0.146	2	120.0352	0.104	5	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	120.2215	0.489	2	120.0352	0.104	5	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]Pd)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Pd)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	120.0430	0.000	1	120.0430	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]Se)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Se<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Se)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	122.1820	0.000	1	122.1820	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]O[6]Cr)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<6>,2|O<2>}	C[6](C[6]O[6]Cr)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]O[6]O)(H){2|C<3>}	123.0200	0.000	1	123.0200	0.000	1	119.9971	1.502	555	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]C)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]C)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)2(I){1|H<1>,2|C<3>}	120.3880	0.000	1	120.3880	0.000	1	120.3880	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	124.1380	0.000	1	124.1380	0.000	1	121.6413	4.698	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(COO){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)2(O){3|C<3>}	120.3930	0.212	2	120.3930	0.045	2	121.6413	4.698	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.5200	1.829	2	120.5200	3.344	2	120.1115	2.787	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3930	0.403	4	119.3930	0.162	4	120.1115	2.787	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	122.0540	0.147	2	122.0540	0.022	2	120.1115	2.787	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(N[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]N[6]H)(H){2|C<3>}	117.1760	0.000	1	117.1760	0.000	1	120.1115	2.787	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){3|C<3>}	121.1730	0.000	1	121.1730	0.000	1	120.1115	2.787	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){3|C<3>}	118.1460	0.000	1	118.1460	0.000	1	120.1115	2.787	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){3|C<3>}	119.6990	0.000	1	119.6990	0.000	1	120.1115	2.787	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	122.5350	0.000	1	122.5350	0.000	1	120.1115	2.787	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CNO)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CNO){1|N<3>,2|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.5000	0.000	1	120.5000	0.000	1	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|H<1>,1|N<3>}	C[6](N[6]C[6a]N[6])(C[6]C[6]H)(H){4|C<3>}	119.0180	0.000	1	119.0180	0.000	1	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){3|C<3>}	120.1388	0.597	4	120.1302	0.267	5	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){3|C<3>}	120.0960	0.000	1	120.1302	0.267	5	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){3|C<3>}	120.2033	0.660	3	120.2033	0.436	3	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){3|C<3>}	119.9225	0.238	2	119.9225	0.057	2	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHN)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){3|C<3>}	117.2890	0.000	1	117.2890	0.000	1	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHO)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CHO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){3|C<3>}	117.6420	0.000	1	117.6420	0.000	1	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){3|C<3>}	119.4160	0.000	1	119.4160	0.000	1	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){3|C<3>}	118.9621	0.482	36	118.9621	0.232	36	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){3|C<3>}	118.5087	0.763	3	118.5087	0.582	3	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){3|C<3>}	119.1471	0.992	16	119.1471	0.985	16	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(H){3|C<3>}	119.1993	0.443	3	119.1993	0.196	3	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){3|C<3>}	119.3607	0.586	3	119.3607	0.343	3	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){3|C<3>}	118.8900	0.671	6	118.8900	0.450	6	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){3|C<3>}	118.9447	0.928	4	118.9447	0.862	4	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){3|C<3>}	119.4106	0.607	25	119.1980	0.387	36	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){3|C<3>}	118.7148	0.322	11	119.1980	0.387	36	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){3|C<3>}	119.2123	0.665	12	119.2123	0.442	12	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){3|C<3>}	119.4165	0.254	2	119.4165	0.064	2	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){3|C<3>}	118.9181	0.551	41	118.9181	0.303	41	119.0985	0.482	177	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|C<4>,1|N<2>,3|C<3>}	123.8980	0.354	2	123.8980	0.125	2	123.8980	0.125	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	122.1550	0.000	1	122.1550	0.000	1	122.1550	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	118.7850	0.000	1	118.7850	0.000	1	119.9456	1.023	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){2|C<3>}	120.9080	0.000	1	120.9080	0.000	1	119.9456	1.023	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]2)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]2)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	C[6](C[6]C[6]H)2(H){1|O<1>,2|C<3>}	120.7235	0.319	2	120.7235	0.102	2	119.9456	1.023	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,2|C<3>}	119.6034	1.120	10	119.6034	1.254	10	119.9456	1.023	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.9510	0.016	2	120.4586	0.267	5	119.9456	1.023	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.1303	0.361	3	120.4586	0.267	5	119.9456	1.023	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|N<3>,3|C<3>}	119.6873	0.901	15	119.6873	0.812	15	119.9456	1.023	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|Te<2>,1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){2|C<3>}	121.6940	0.000	1	121.6940	0.000	1	119.9456	1.023	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(C[6]N[6]2){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	121.8910	0.000	1	121.8910	0.000	1	119.9456	1.023	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]H)2(C[6]N[6]2){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	120.6850	0.000	1	120.6850	0.000	1	119.9456	1.023	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Au<4>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Au)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){2|C<3>}	120.5410	0.000	1	120.5410	0.000	1	119.9456	1.023	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]N[6]Pd)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]Pd)(C[6]C[6]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	119.1180	0.025	2	119.1180	0.001	2	119.9456	1.023	40	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	122.4080	0.000	1	122.4080	0.000	1	122.4080	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9365	0.487	2	119.9365	0.237	2	120.3941	1.025	1455	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(H){1|H<1>,4|C<3>}	120.3420	0.075	4	120.3420	0.006	4	120.3941	1.025	1455	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]B)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(H){1|H<1>,2|C<3>}	120.5230	0.535	2	120.5230	0.286	2	120.3941	1.025	1455	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.4885	1.039	705	120.4885	1.080	705	120.3941	1.025	1455	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6860	0.250	2	119.9554	0.762	518	120.3941	1.025	1455	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9565	0.874	516	119.9554	0.762	518	120.3941	1.025	1455	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.2535	0.570	174	121.2162	0.328	212	120.3941	1.025	1455	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.0454	0.561	38	121.2162	0.328	212	120.3941	1.025	1455	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|W<6>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|H<1>,2|C<3>}	119.7525	0.336	4	119.7525	0.113	4	120.3941	1.025	1455	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3653	0.410	4	119.3653	0.168	4	120.3941	1.025	1455	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ir<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	118.8940	0.267	4	118.8940	0.072	4	120.3941	1.025	1455	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cl<1>,1|Co<6>,3|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H){2|C<3>,2|H<1>,3|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9910	0.000	1	119.9910	0.000	1	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4053	0.829	6	119.4053	0.687	6	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){3|C<3>}	119.7500	0.000	1	119.7500	0.000	1	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.3417	0.225	4	120.3417	0.051	4	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Al<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2473	0.161	4	119.2473	0.026	4	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3125	0.525	2	120.2825	0.236	4	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cd<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2525	0.655	2	120.2825	0.236	4	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4775	0.144	2	120.0376	0.433	46	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0356	0.662	42	120.0376	0.433	46	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.6395	0.422	2	120.0376	0.433	46	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1360	0.860	18	119.9440	1.311	28	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5983	1.527	10	119.9440	1.311	28	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6145	0.725	24	119.6145	0.526	24	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3950	0.119	4	119.3950	0.014	4	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){3|C<3>}	119.0695	1.286	2	119.9313	1.369	6	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3623	0.994	4	119.9313	1.369	6	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8927	0.988	12	119.8927	0.976	12	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Mo<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0583	0.591	6	120.0583	0.349	6	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0238	0.567	10	119.8740	0.291	14	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4995	0.188	4	119.8740	0.291	14	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Os<7>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){3|C<3>}	119.8120	0.000	1	119.8120	0.000	1	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<3>,2|N<3>,4|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2538	0.896	20	119.9355	0.916	57	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7634	0.957	37	119.9355	0.916	57	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6436	1.249	20	119.6436	1.561	20	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2959	0.842	20	120.2959	0.709	20	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2840	1.166	25	120.2734	1.256	27	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Rh<9>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1410	0.148	2	120.2734	1.256	27	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5138	0.920	10	119.6513	0.796	12	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){3|C<3>}	120.3390	0.055	2	119.6513	0.796	12	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Sn<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2450	0.212	2	120.2450	0.045	2	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ti<12>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3930	0.476	4	120.3930	0.226	4	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6992	0.695	16	119.7325	0.440	24	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8250	0.748	6	119.7325	0.440	24	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7210	0.058	2	119.7325	0.440	24	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.1861	1.005	62	120.1861	1.009	62	119.9649	0.840	389	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	119.9050	0.000	1	119.9050	0.000	1	119.9050	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.8290	0.000	1	117.8290	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9940	0.000	1	120.3050	0.105	3	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.4605	0.255	2	120.3050	0.105	3	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NPdP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NPdP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.1010	0.000	1	121.1010	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]Ti)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<4>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]Ti){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	120.6510	0.000	1	120.6510	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(NHH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|N<3>}	119.9560	0.000	1	119.9560	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Ag<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>,1|N<3>}	118.6820	0.000	1	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	119.6192	0.647	6	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	119.2530	0.030	2	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|N<3>}	119.0345	0.790	8	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|N<3>}	119.1052	0.362	5	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|N<3>}	119.8850	0.078	3	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<3>,1|C<3>,1|N<3>}	119.8910	0.000	1	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|N<3>}	118.9234	0.628	12	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|N<3>}	119.2450	0.520	2	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|N<3>}	117.9698	0.474	4	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|N<3>}	118.5811	1.682	53	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|N<3>}	119.2136	0.694	12	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|N<3>}	118.2910	0.216	2	118.8436	1.664	111	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC[6a]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NC[6a]2){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,2|C<3>,2|N<3>}	120.3990	0.000	1	120.3990	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCoC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCoC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	120.1536	0.571	9	120.1536	0.326	9	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	120.1280	0.677	7	119.5564	0.309	27	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|N<3>}	119.4595	0.378	2	119.5564	0.309	27	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|N<3>}	118.9640	0.000	1	119.5564	0.309	27	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|N<3>}	119.4355	0.582	2	119.5564	0.309	27	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|N<3>}	119.1490	0.000	1	119.5564	0.309	27	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|N<3>}	119.6020	0.000	1	119.5564	0.309	27	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|N<3>}	119.3440	0.000	1	119.5564	0.309	27	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|N<3>}	119.6780	0.000	1	119.5564	0.309	27	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|N<3>}	119.2500	0.154	2	119.5564	0.309	27	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|N<3>}	119.5510	0.375	5	119.5564	0.309	27	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|N<3>}	118.9987	0.265	3	119.5564	0.309	27	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|N<3>}	119.3500	0.000	1	119.5564	0.309	27	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|N<3>}	118.8806	2.369	8	118.4025	4.695	16	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|N<3>}	117.9244	1.982	8	118.4025	4.695	16	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NIrC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NIrC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	120.3980	0.000	1	120.3980	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NIrN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NIrN){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|N<3>}	117.7490	0.119	2	117.7490	0.014	2	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NNiC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NNiC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	120.1965	0.815	4	120.1965	0.664	4	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|N<3>}	116.9940	0.000	1	116.5385	0.675	4	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|N<3>}	115.9185	0.658	2	116.5385	0.675	4	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|N<3>}	117.3230	0.000	1	116.5385	0.675	4	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	120.4800	0.000	1	120.4800	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NC[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(NC[6]2){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	118.2020	0.000	2	118.2020	0.000	2	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NC[6]Cu)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(NC[6]Cu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	120.9310	0.000	1	120.9310	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCuC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NCuC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<1>}	120.0620	2.193	4	120.0620	4.808	4	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<1>}	117.4690	0.000	1	117.4690	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|N<3>}	118.6520	0.000	1	118.6520	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[5]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[5]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|N<3>}	121.0115	0.766	2	121.0115	0.586	2	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|N<3>}	120.9150	0.407	4	120.9150	0.165	4	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|N<3>}	120.2630	0.000	1	120.5373	0.294	4	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|N<3>}	120.2070	0.000	1	120.5373	0.294	4	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|N<3>}	121.3470	0.000	1	120.5373	0.294	4	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|N<3>}	120.3320	0.000	1	120.5373	0.294	4	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NNiC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NNiC){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|N<3>}	118.9690	0.000	1	118.9690	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	116.9555	0.250	2	118.1645	0.917	6	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|N<3>}	118.7690	0.215	4	118.1645	0.917	6	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NHH){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|N<3>}	120.6340	0.000	1	120.6340	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NOO){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	117.3090	0.000	1	117.3090	0.000	1	119.0857	2.020	211	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	121.5470	0.000	1	121.5470	0.000	1	121.5586	1.734	21	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	122.0460	0.000	1	122.0460	0.000	1	121.5586	1.734	21	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	122.5290	0.000	1	122.5290	0.000	1	121.5586	1.734	21	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	122.3750	0.035	2	122.3750	0.001	2	121.5586	1.734	21	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|N<3>}	121.7160	0.000	1	121.7160	0.000	1	121.5586	1.734	21	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	122.2253	0.250	3	122.2253	0.062	3	121.5586	1.734	21	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	121.4880	0.051	2	121.4880	0.003	2	121.5586	1.734	21	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	122.7900	0.482	2	122.7900	0.233	2	121.5586	1.734	21	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	121.4530	0.000	1	121.4530	0.000	1	121.5586	1.734	21	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	121.0040	0.547	2	121.0040	0.300	2	121.5586	1.734	21	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NCuC)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NCuC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	120.9027	1.909	4	120.9027	3.644	4	121.5586	1.734	21	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|H<1>,1|N<3>}	117.8390	0.000	1	117.8390	0.000	1	121.5586	1.734	21	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](N[6]C[6]Th)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Th<13>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(NCC){1|Th<13>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Th)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	120.3700	0.000	1	120.3700	0.000	1	120.7740	1.816	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<12>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(NCC){1|Zr<12>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	121.4115	1.927	2	120.9087	2.615	3	120.7740	1.816	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<13>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(NCC){1|Zr<13>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	119.9030	0.000	1	120.9087	2.615	3	120.7740	1.816	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2){1|Pd<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|N<3>}	117.8753	0.828	3	118.2468	1.009	4	118.8346	2.484	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2){1|Re<6>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|N<3>}	119.3610	0.000	1	118.2468	1.009	4	118.8346	2.484	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|N<3>}	121.1860	0.000	1	121.1860	0.000	1	118.8346	2.484	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[5])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]N[5])(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	123.0380	0.000	1	123.0380	0.000	1	123.0380	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){2|C<3>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	121.5050	0.000	1	121.5050	0.000	1	118.9965	12.585	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]Rh)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|Rh<6>,1|C<4>,3|C<3>}	C[6](C[6]C[6]Rh)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	116.4880	0.000	1	116.4880	0.000	1	118.9965	12.585	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.5885	0.011	2	118.5885	0.000	2	117.5820	0.862	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){2|Ir<8>,3|C<3>}	C[6](C[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,2|N<3>,3|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.5170	0.000	1	117.5170	0.000	1	117.5820	0.862	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]Rh)(C[6]C[6]H)(N[5]C[5]2)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){2|Rh<8>,3|C<3>}	C[6](C[6]C[6]Rh)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,2|N<3>,3|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.8630	0.000	1	116.8630	0.000	1	117.5820	0.862	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){2|Ru<9>,3|C<3>}	C[6](C[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,2|N<3>,3|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.9675	1.005	2	116.9675	1.010	2	117.5820	0.862	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]U)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|H<1>,1|N<3>,1|U<9>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]U){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	118.8600	0.068	2	118.8600	0.005	2	118.8600	0.005	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2455	0.264	2	119.2455	0.070	2	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|V<7>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]V){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.8200	0.455	2	120.0867	0.202	4	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|V<8>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(N[6]C[6]V){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.3535	0.337	2	120.0867	0.202	4	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0060	0.000	1	118.7957	0.073	4	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){1|S<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8305	0.309	2	118.7957	0.073	4	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]2)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5160	0.000	1	118.7957	0.073	4	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2){1|B<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|N<3>}	118.1517	0.246	7	118.1620	0.053	8	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	118.2340	0.000	1	118.1620	0.053	8	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	119.6380	0.000	1	119.6380	0.000	1	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3585	0.149	2	118.5417	4.572	6	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|Re<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	116.7267	1.239	3	118.5417	4.572	6	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3530	0.000	1	118.5417	4.572	6	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	121.1220	0.298	2	121.1220	0.089	2	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0530	0.000	1	119.3439	0.748	33	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3648	0.860	30	119.3439	0.748	33	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6770	1.022	2	119.3439	0.748	33	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.6070	0.000	1	120.9177	0.811	27	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1870	0.304	4	120.9177	0.811	27	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.9410	0.000	1	120.9177	0.811	27	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|Fe<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	122.0245	0.304	4	120.9177	0.811	27	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|Ni<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.6540	0.646	4	120.9177	0.811	27	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5206	0.758	13	120.9177	0.811	27	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<5>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3525	0.087	2	119.0481	0.197	34	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<5>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0965	0.218	2	119.0481	0.197	34	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<6>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1341	0.401	20	119.0481	0.197	34	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){1|B<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|N<3>}	118.7780	0.000	1	119.0481	0.197	34	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.1890	0.000	1	119.0481	0.197	34	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6970	0.427	2	119.0481	0.197	34	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<7>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4615	0.660	2	119.0481	0.197	34	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|V<8>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]V){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9430	0.556	4	119.0481	0.197	34	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|W<6>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.3880	0.000	1	119.7082	0.155	10	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|W<6>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7383	0.378	7	119.7082	0.155	10	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|W<8>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7630	0.653	2	119.7082	0.155	10	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|P<3>,1|W<6>,2|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(N[6]C[6]W){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2190	0.739	4	120.2190	0.546	4	119.5642	1.279	135	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.3300	0.000	1	118.3300	0.000	1	118.3300	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Cu<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.6885	0.267	2	118.6885	0.071	2	118.6885	0.071	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OCoNi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OCoNi){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<3>}	121.3650	0.000	1	121.3650	0.000	1	121.3650	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<3>}	119.5080	0.000	1	119.5080	0.000	1	119.5080	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu2)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu2){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|S<3>}	119.1735	0.771	2	119.1735	0.595	2	119.1735	0.595	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H)(H)	C[6](C[6]N[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5,6a]N[5,6])(C[6]C[6]H)(H){1|B<4>,4|C<3>}	120.8210	0.000	1	120.8210	0.000	1	120.8210	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(H)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(O){1|C<4>,1|N<2>,3|C<3>}	124.8390	0.000	1	124.8390	0.000	1	124.8390	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6]H)(H)	C[6](C[6]N[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	120.2130	0.000	1	120.2130	0.000	1	120.2130	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(H){1|N<3>,4|C<3>}	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.4683	0.701	3	120.4683	0.491	3	120.4683	0.491	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|O<2>,4|C<3>}	123.1110	0.000	1	123.1110	0.000	1	123.1110	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<6>,1|N<3>,3|C<3>}	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Pt<4>,1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|N<3>,3|C<3>}	122.3920	0.000	1	122.3920	0.000	1	122.3920	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[5a,6]H)(H)	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[5a,6]H)(H){5|C<3>}	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>}	122.9910	0.000	1	122.9910	0.000	1	122.9910	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.4805	0.112	2	117.8770	2.773	4	117.2335	1.851	8	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.1240	0.000	1	117.8770	2.773	4	117.2335	1.851	8	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]H){2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){3|N<3>}	115.4230	0.000	1	117.8770	2.773	4	117.2335	1.851	8	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|H<1>,1|V<6>,3|C<3>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]V){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	116.5900	0.664	4	116.5900	0.441	4	117.2335	1.851	8	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.5020	0.000	1	121.5020	0.000	1	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3420	0.000	1	119.3420	0.000	1	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.9310	0.000	1	121.9310	0.000	1	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.1347	0.347	22	121.0812	0.144	26	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.7867	0.471	4	121.0812	0.144	26	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.2405	0.291	2	121.2405	0.084	2	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3805	1.172	2	120.3805	1.373	2	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1818	0.565	9	120.1818	0.319	9	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1234	0.433	14	120.0478	0.221	16	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.5185	0.489	2	120.0478	0.221	16	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.3642	2.434	4	121.3642	5.926	4	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6150	0.000	1	119.6150	0.000	1	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0600	0.000	1	120.0600	0.000	1	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8473	0.259	3	119.8473	0.067	3	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1500	0.000	1	119.1500	0.000	1	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CClO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6450	0.000	1	118.6450	0.000	1	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8413	0.864	14	119.8413	0.747	14	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3880	0.000	1	119.3880	0.000	1	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1370	0.198	5	119.1370	0.039	5	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.3580	1.756	2	117.3580	3.085	2	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.0670	0.000	1	119.5335	2.554	34	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	119.2610	0.000	1	119.5335	2.554	34	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8534	1.854	23	119.5335	2.554	34	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7981	0.385	9	119.5335	2.554	34	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	122.2510	0.119	2	122.2510	0.014	2	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7515	0.844	2	120.7515	0.712	2	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[5]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[5]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7050	0.000	1	119.7050	0.000	1	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.8430	0.030	2	120.8430	0.001	2	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.6820	0.472	2	119.6820	0.223	2	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5840	0.000	1	120.9000	0.200	2	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.2160	0.000	1	120.9000	0.200	2	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(N[6]C[6]V)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0460	0.000	1	119.0460	0.000	1	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<5>}	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1835	0.009	2	118.9843	0.081	4	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(N[6]C[6]V)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7850	0.290	2	118.9843	0.081	4	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<7>}	C[6](C[6]C[6]H)(N[6]C[6]V)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9580	0.000	1	118.9580	0.000	1	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(COS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(N[6]C[6]V)(COS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.6400	0.429	2	119.6400	0.184	2	120.0867	1.567	144	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cu)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Cu<3>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cu)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.3000	0.000	1	119.5555	0.131	2	119.7864	0.187	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cu)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Cu<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cu)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.8110	0.000	1	119.5555	0.131	2	119.7864	0.187	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Pd)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Pd<3>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.6310	0.348	2	120.0535	0.294	4	119.7864	0.187	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Pd)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	120.4760	0.218	2	120.0535	0.294	4	119.7864	0.187	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Re)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Re<5>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.9260	0.000	1	119.9260	0.000	1	119.7864	0.187	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.8255	0.097	2	119.5998	0.101	4	119.7864	0.187	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.3740	0.301	2	119.5998	0.101	4	119.7864	0.187	11	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Ir)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Ir)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.2840	0.709	3	119.2840	0.503	3	120.0202	0.956	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Re)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Re<6>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]N[6])(N[6]C[6,6a]Re)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.1670	0.000	1	120.1670	0.000	1	120.0202	0.956	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6])(N[6]C[6,6a]H)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.0510	0.045	2	121.0510	0.002	2	120.0202	0.956	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	117.7120	0.000	1	117.7120	0.000	1	118.0948	0.543	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(Br){1|C<3>,1|H<1>,1|N<3>}	118.1714	0.797	5	118.1714	0.635	5	118.0948	0.543	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	117.1885	0.227	2	117.1885	0.052	2	117.5802	0.136	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	117.4421	0.170	7	117.4421	0.029	7	117.5802	0.136	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	117.4560	0.262	2	117.4560	0.068	2	117.5802	0.136	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	117.7005	0.421	6	117.7005	0.177	6	117.5802	0.136	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	117.7624	0.439	7	117.7624	0.193	7	117.5802	0.136	24	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]N[6])(C[6]C[6]F)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6]N[6])(C[6]C[6]F)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(F){1|C<3>,1|H<1>,1|N<3>}	119.2205	0.337	2	119.2205	0.114	2	119.2205	0.114	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4500	0.000	1	120.4500	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2638	0.743	5	119.2638	0.552	5	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0785	0.479	2	119.0785	0.229	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.8325	0.054	2	118.8325	0.003	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.6560	0.000	1	119.4965	0.051	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3370	0.000	1	119.4965	0.051	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7200	0.000	1	119.7200	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6a]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2320	0.000	1	119.2320	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.1265	0.045	2	119.4233	1.578	46	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0537	0.794	3	119.4233	1.578	46	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.8475	0.263	4	119.4233	1.578	46	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2965	0.186	2	119.4233	1.578	46	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.4880	0.885	2	119.4233	1.578	46	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6529	1.522	22	119.4233	1.578	46	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7520	0.000	1	119.4233	1.578	46	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1280	0.185	2	119.4233	1.578	46	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1815	0.832	2	119.4233	1.578	46	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8942	1.079	6	119.4233	1.578	46	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5170	0.000	1	118.5299	0.398	42	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1920	0.154	2	118.5299	0.398	42	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	118.5355	0.341	10	118.5299	0.398	42	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.0646	0.523	14	118.5299	0.398	42	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0623	0.590	7	118.5299	0.398	42	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.9885	0.783	2	118.5299	0.398	42	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Al<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7805	0.482	6	118.5299	0.398	42	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.0430	1.107	2	120.0230	1.971	4	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Au<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4910	0.000	1	120.0230	1.971	4	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Au<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5150	0.000	1	120.0230	1.971	4	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ba)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ba<12>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ba)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5110	0.110	2	119.5110	0.012	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4315	1.039	2	118.7819	0.332	8	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2715	0.179	2	118.7819	0.332	8	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5075	0.549	2	118.7819	0.332	8	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Bi<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Bi)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9170	0.006	2	118.7819	0.332	8	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.1223	0.043	4	119.3430	0.425	112	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4227	0.612	18	119.3430	0.425	112	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6836	0.593	5	119.3430	0.425	112	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8383	0.440	6	119.3430	0.425	112	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4089	0.667	75	119.3430	0.425	112	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5517	0.580	4	119.3430	0.425	112	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3295	0.144	2	119.1057	0.161	3	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<8>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.6580	0.000	1	119.1057	0.161	3	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	120.1920	0.211	2	120.1920	0.044	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.1040	0.424	10	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3385	0.380	2	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7912	0.210	4	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6065	0.841	11	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2240	0.000	1	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.2720	0.750	2	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5180	0.817	3	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1550	0.686	21	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8420	0.000	1	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	119.6230	0.664	3	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.5425	0.308	13	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9785	0.248	4	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8680	0.000	1	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2980	0.000	1	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|S<2>}	119.1475	0.285	2	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5341	0.670	105	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1305	0.857	488	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0839	0.482	34	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0543	0.448	3	119.0297	0.674	709	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.1285	0.006	2	119.1285	0.000	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6030	0.000	1	119.1455	0.370	100	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3447	0.292	3	119.1455	0.370	100	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5849	0.505	8	119.1455	0.370	100	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8313	0.541	25	119.1455	0.370	100	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2361	0.573	57	119.1455	0.370	100	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.9490	0.115	2	119.1455	0.370	100	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5250	0.563	4	119.1455	0.370	100	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.5290	0.548	3	119.3839	0.338	37	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3295	0.323	2	119.3839	0.338	37	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.4539	0.424	8	119.3839	0.338	37	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2910	0.839	4	119.3839	0.338	37	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2522	0.622	16	119.3839	0.338	37	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3865	0.107	2	119.3839	0.338	37	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.1770	0.782	2	119.3839	0.338	37	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3025	0.265	4	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.1693	0.372	4	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5520	0.000	1	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7266	0.478	46	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2881	0.529	10	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0795	1.650	2	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5255	0.070	2	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.0050	0.000	1	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7037	1.427	3	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.9125	0.383	4	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8982	0.386	44	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3448	0.650	78	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|Cu<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2980	0.161	2	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5490	0.168	2	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	118.4440	0.646	2	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8163	0.709	3	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7730	0.233	9	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4075	0.377	2	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4150	0.000	1	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0295	1.091	2	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2413	0.316	4	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.0948	0.334	4	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.1450	0.476	39	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0419	0.805	305	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.1385	0.127	2	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.1435	0.258	2	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2111	0.867	74	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8510	0.277	2	119.0077	0.608	654	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.6779	0.733	9	119.6779	0.537	9	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.8420	0.385	2	119.8420	0.148	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<10>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7080	0.283	2	119.6069	0.662	16	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<10>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1160	0.532	2	119.6069	0.662	16	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6265	0.083	2	119.6069	0.662	16	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Eu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8810	0.727	10	119.6069	0.662	16	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.4241	0.401	16	119.3842	0.126	23	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2930	0.217	7	119.3842	0.126	23	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	120.4028	0.339	6	120.4028	0.115	6	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4415	0.028	2	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|P<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<3>}	118.3150	0.511	2	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6940	0.044	2	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4433	0.590	3	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.9608	0.330	6	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0607	0.774	12	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5953	0.769	10	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	119.2595	0.165	2	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7585	0.447	22	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|N<3>}	119.1751	0.390	8	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|F<1>,1|N<3>}	119.2820	0.158	4	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5108	0.263	5	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.4114	0.413	16	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1382	0.441	4	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6408	0.648	56	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3358	1.136	238	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.1000	0.000	1	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0326	0.401	10	119.1447	0.977	403	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.7830	0.000	1	118.7830	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.8725	0.336	2	118.8725	0.113	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.4835	1.107	2	119.3593	0.985	18	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0007	1.092	6	119.3593	0.985	18	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0925	0.421	2	119.3593	0.985	18	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Hg<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9139	0.858	8	119.3593	0.985	18	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Ir<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.9485	0.766	2	118.9485	0.586	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.0970	0.000	1	119.7860	1.391	3	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.1305	0.452	2	119.7860	1.391	3	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	120.6980	0.000	1	120.6980	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	119.9325	0.627	2	119.9325	0.393	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	119.3850	0.000	1	119.2885	1.200	149	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5090	0.250	3	119.2885	1.200	149	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1810	0.000	1	119.2885	1.200	149	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1530	0.604	2	119.2885	1.200	149	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9021	0.685	20	119.2885	1.200	149	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4828	1.250	81	119.2885	1.200	149	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2687	0.476	4	119.2885	1.200	149	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.4682	0.385	6	119.2885	1.200	149	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1471	0.894	31	119.2885	1.200	149	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.5223	0.394	3	119.5223	0.155	3	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.1030	0.624	2	119.0351	0.132	10	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){1|Li<4>,1|B<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|N<3>}	119.4195	0.162	2	119.0351	0.132	10	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1045	0.144	2	119.0351	0.132	10	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6970	0.156	2	119.0351	0.132	10	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Li)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8515	0.349	2	119.0351	0.132	10	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mg<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1385	0.387	2	119.1557	0.360	7	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mg<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7585	0.784	2	119.1557	0.360	7	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mg<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4320	0.653	3	119.1557	0.360	7	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4505	0.047	2	119.2423	0.422	383	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6570	0.346	6	119.2423	0.422	383	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6542	0.912	23	119.2423	0.422	383	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6090	0.311	4	119.2423	0.422	383	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9643	1.015	7	119.2423	0.422	383	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0600	0.000	1	119.2423	0.422	383	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.2275	0.077	2	119.2423	0.422	383	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.7361	0.178	12	119.2423	0.422	383	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0465	0.706	38	119.2423	0.422	383	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2982	0.603	276	119.2423	0.422	383	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1066	0.342	12	119.2423	0.422	383	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.7960	0.000	1	119.7960	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.1470	0.330	2	119.1470	0.109	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.8780	0.000	1	119.5589	0.783	71	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.3017	0.290	7	119.5589	0.783	71	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4672	0.978	46	119.5589	0.783	71	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2142	0.225	4	119.5589	0.783	71	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9098	0.714	6	119.5589	0.783	71	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5744	0.230	5	119.5589	0.783	71	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5070	0.127	2	119.5589	0.783	71	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.5060	0.792	17	119.5060	0.628	17	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.5725	0.271	4	119.5493	0.340	18	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.6092	0.729	11	119.5493	0.340	18	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2987	0.056	3	119.5493	0.340	18	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.9990	0.559	3	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	118.0173	0.343	3	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.5720	0.000	1	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|Ni<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.3660	0.000	1	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|Ni<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7850	0.000	1	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3414	0.808	7	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2218	0.767	40	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1350	0.000	1	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8238	0.291	6	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0320	0.487	10	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3145	0.052	2	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3810	0.471	7	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0960	0.272	2	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5421	0.366	7	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4477	0.324	4	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.6870	0.245	4	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|Ni<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.4700	1.041	10	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6822	0.467	4	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3052	1.023	64	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1365	1.008	408	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2470	0.480	5	118.9697	1.035	590	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0823	0.749	16	119.6116	1.515	208	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6460	1.255	190	119.6116	1.515	208	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5820	1.055	2	119.6116	1.515	208	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.4130	0.000	1	120.0141	0.314	12	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.7284	0.572	5	120.0141	0.314	12	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.1857	0.530	6	120.0141	0.314	12	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	120.8730	0.016	2	120.8730	0.000	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0765	0.067	2	119.3175	0.638	205	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9730	0.000	1	119.3175	0.638	205	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.8290	0.491	3	119.3175	0.638	205	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.6160	0.000	1	119.3175	0.638	205	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.5695	0.013	2	119.3175	0.638	205	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.9160	0.000	1	119.3175	0.638	205	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3664	0.441	26	119.3175	0.638	205	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4862	0.757	159	119.3175	0.638	205	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4795	0.186	2	119.3175	0.638	205	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0835	0.603	4	119.3175	0.638	205	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4210	0.475	4	119.3175	0.638	205	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|B<3>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.7430	0.000	1	118.7430	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.9150	0.960	42	119.7168	0.870	77	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3445	0.742	21	119.7168	0.870	77	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.6156	1.333	5	119.7168	0.870	77	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.4850	1.233	2	119.7168	0.870	77	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.7829	0.809	7	119.7168	0.870	77	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	119.7890	0.000	1	120.2758	1.056	6	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	120.3732	1.118	5	120.2758	1.056	6	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0513	1.056	3	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	118.5330	0.000	1	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.6543	1.073	4	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.3380	0.000	1	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2685	0.781	2	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0793	0.946	3	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.9108	0.387	11	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9510	0.421	9	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.8855	0.674	4	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3312	0.966	108	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4554	1.034	349	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3710	0.028	2	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	119.4430	0.000	1	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	120.6840	0.000	1	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2140	1.086	6	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8360	0.000	1	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6360	0.000	1	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9820	0.180	2	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4542	0.656	55	119.2479	1.149	564	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<6>,1|N<3>,3|C<3>}	118.9740	0.000	1	118.9740	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Re<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.3235	1.073	2	120.3235	1.151	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.5469	0.691	7	119.6511	0.301	22	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.7306	0.517	13	119.6511	0.301	22	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.4990	0.209	2	119.6511	0.301	22	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cl<1>,1|Re<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.7123	0.696	3	119.7123	0.484	3	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9686	1.641	9	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|N<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7820	0.000	1	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,2|C<3>}	117.5830	0.000	1	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.6570	0.000	1	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.9712	0.275	8	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6717	0.683	3	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|N<3>}	118.9200	0.000	1	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.9170	0.000	1	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3650	0.000	1	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.0935	0.499	6	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|P<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<3>}	119.7070	0.000	1	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.5628	0.632	12	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5601	1.083	217	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7855	0.257	2	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9815	0.180	2	119.5181	1.135	266	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.1240	0.000	1	120.1240	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.1535	0.660	2	120.1535	0.435	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.0065	0.722	4	120.0065	0.521	4	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0495	0.005	2	119.2990	0.237	57	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4070	0.383	4	119.2990	0.237	57	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7040	0.310	4	119.2990	0.237	57	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0200	0.265	10	119.2990	0.237	57	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4087	0.581	4	119.2990	0.237	57	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6760	0.513	2	119.2990	0.237	57	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4161	0.407	11	119.2990	0.237	57	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2275	0.181	4	119.2990	0.237	57	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3641	0.365	16	119.2990	0.237	57	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Ru<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.8120	0.771	2	119.8120	0.594	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.4967	0.615	3	119.6298	0.520	30	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.9365	0.786	11	119.6298	0.520	30	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.4788	0.724	13	119.6298	0.520	30	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3610	0.000	1	119.6298	0.520	30	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2585	0.351	2	119.6298	0.520	30	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.7356	0.527	5	119.7356	0.277	5	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3380	0.277	2	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6154	0.376	5	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1565	0.445	2	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7357	0.697	11	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3755	0.701	2	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8500	0.000	1	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.8487	0.135	3	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.8692	0.658	4	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8400	0.526	47	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6288	0.987	875	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6977	0.659	26	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.7640	0.000	1	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|N<4>}	119.2330	0.000	1	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5006	0.449	15	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	119.4800	0.000	1	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|F<1>,1|N<3>}	119.1300	0.014	2	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1610	0.000	1	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7105	0.035	2	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.8980	0.772	2	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.4780	0.263	2	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2712	0.295	23	119.5598	0.915	1028	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.7488	0.124	4	119.7488	0.015	4	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sb)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sb<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sb)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8550	0.000	1	119.8550	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<14>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.8120	0.000	1	119.4450	0.223	6	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<14>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0620	0.000	1	119.4450	0.223	6	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<15>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.5805	0.136	2	119.4450	0.223	6	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<15>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sm)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3175	0.494	2	119.4450	0.223	6	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3233	0.213	10	119.3204	0.076	18	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sn<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2265	0.341	4	119.3204	0.076	18	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sn<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4070	0.395	4	119.3204	0.076	18	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sr<12>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2690	0.069	2	119.2690	0.005	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ti)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ti<11>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ti)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.9760	0.000	1	119.6440	3.548	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ti)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ti<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ti)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3120	0.000	1	119.6440	3.548	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3800	0.928	4	119.3021	0.450	19	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.0555	0.305	2	119.3021	0.450	19	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.3160	0.663	13	119.3021	0.450	19	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	117.9930	0.000	1	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0540	0.000	1	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4940	0.000	1	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.8666	0.348	8	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2325	0.161	2	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.2147	0.897	3	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|Zn<5>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2440	0.000	1	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9578	0.227	4	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0377	0.581	34	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4883	0.582	3	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.2060	0.501	2	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|Zn<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.7410	0.000	1	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5473	0.485	18	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8378	0.588	130	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7939	0.562	7	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.2730	0.806	2	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4855	0.447	8	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0600	0.873	95	118.8879	0.489	321	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zr<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9200	0.760	4	119.9200	0.577	4	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Cu)(C[6]C[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,2|C<3>,2|N<3>}	118.0895	0.013	2	118.0895	0.000	2	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Ni)(C[6]C[6]H){1|Ni<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,2|C<3>,2|N<3>}	118.3410	0.222	10	118.3410	0.049	10	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]P[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,1|P<3>,2|C<3>}	C[6](C[6]C[6]P[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7560	0.000	1	120.7560	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]C[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8940	0.000	1	119.8940	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]C[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5a,6]C[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1600	0.000	1	119.1600	0.000	1	119.2455	0.878	6364	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]N[6])(C[6]C[6]I)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]N[6])(C[6]C[6]I)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|I<1>,4|C<3>}	C[6](C[6]C[6]H)2(I){1|N<3>,2|C<3>}	118.0860	0.178	2	118.0860	0.032	2	118.8628	0.819	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]N[6])(C[6]C[6]I)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6]N[6])(C[6]C[6]I)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|I<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(I){1|C<3>,1|H<1>,1|N<3>}	119.6395	0.115	2	119.6395	0.013	2	118.8628	0.819	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){2|Cu<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.6860	0.000	1	118.2862	0.599	9	118.2862	0.599	9	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){2|Cu<5>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.3612	0.792	8	118.2862	0.599	9	118.2862	0.599	9	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.2220	0.102	2	120.2220	0.010	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NIrC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NIrC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.8920	0.000	1	120.8920	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NMnC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NMnC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.1110	0.000	1	120.1110	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NOsC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NOsC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.6540	0.000	1	120.6540	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NOsH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NOsH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.6760	0.000	1	119.6760	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NRhC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NRhC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	121.3280	0.000	1	121.3280	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(NRuC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(NRuC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.7360	0.000	1	120.7360	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.7540	0.000	1	119.7540	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.9992	0.386	6	119.9992	0.149	6	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	119.0030	0.190	2	119.0030	0.036	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.9110	0.000	1	120.9110	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.9280	0.000	1	119.9280	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|I<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|H<1>,2|N<3>}	119.9890	0.000	1	119.9890	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	119.3620	0.499	2	120.1193	0.397	21	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	119.6230	0.305	6	120.1193	0.397	21	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|S<2>,2|N<3>}	119.7130	0.000	1	120.1193	0.397	21	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.5276	0.471	12	120.1193	0.397	21	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NNiC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NNiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	121.0530	0.399	2	121.0530	0.159	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NPdC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NPdC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	121.1220	0.000	1	121.1220	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NBH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	120.0430	0.482	5	120.0430	0.232	5	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.6535	0.375	2	119.6535	0.141	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.7170	0.000	1	119.7170	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.4065	5.307	2	119.4065	28.163	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	117.9450	0.000	1	119.3815	0.586	68	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.0843	1.077	3	119.3815	0.586	68	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4647	0.683	64	119.3815	0.586	68	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9850	0.211	3	118.9850	0.044	3	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[5a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.2170	0.064	2	119.2170	0.004	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.2830	0.000	1	119.2830	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.6250	0.000	1	118.9480	0.209	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.2710	0.000	1	118.9480	0.209	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.6260	0.000	1	119.1084	0.427	28	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.7720	0.000	1	119.1084	0.427	28	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1127	0.667	25	119.1084	0.427	28	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.8180	0.000	1	119.1084	0.427	28	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.9723	0.477	15	119.9723	0.228	15	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.9765	0.510	2	119.7054	0.181	41	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.6852	0.428	38	119.7054	0.181	41	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.9340	0.000	1	119.7054	0.181	41	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.9884	0.356	21	119.9884	0.126	21	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){3|N<3>}	118.8626	0.399	5	119.7259	0.860	11	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	120.4453	0.476	6	119.7259	0.860	11	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,2|N<3>}	119.8328	0.325	6	119.1712	0.439	254	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.2106	0.437	40	119.1712	0.439	254	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	118.8132	0.401	11	119.1712	0.439	254	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.6366	0.576	94	119.1712	0.439	254	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.6481	0.407	101	119.1712	0.439	254	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,2|N<3>}	119.2340	0.000	1	119.1712	0.439	254	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<4>,2|N<3>}	119.5890	0.000	1	119.1712	0.439	254	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.8485	0.359	2	118.8485	0.129	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.2425	0.209	2	119.2425	0.044	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.3230	0.244	4	118.5325	0.159	6	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9515	0.295	2	118.5325	0.159	6	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NZnN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NZnN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.4730	0.038	2	120.4730	0.001	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.7900	0.000	1	119.9232	0.302	13	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.0177	0.451	12	119.9232	0.302	13	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6]Ni)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6]Ni){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	121.7878	0.479	4	121.7878	0.229	4	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.4510	0.000	1	120.4510	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(NPdC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NPdC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	121.1377	0.297	4	121.1377	0.088	4	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(NCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<7>}	C[6](C[6]C[6]H)(N[6]C[6]W)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.0932	0.152	4	118.0932	0.023	4	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.8920	0.000	1	118.8920	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]P)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<7>}	C[6](C[6]C[6]H)(N[6]C[6]W)(NC[6a]P){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.7610	0.559	2	117.7610	0.312	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(N[6]C[6]W)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3750	0.327	2	118.3750	0.107	2	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]N[6]H)(NHH)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cl<1>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6]H)(NHH){1|C<3>,1|H<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(H){2|N<3>}	118.8920	0.000	1	118.8920	0.000	1	119.4254	0.666	544	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	118.5313	0.503	9	118.5313	0.254	9	118.1849	0.321	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	118.0869	0.510	48	118.0869	0.260	48	118.1849	0.321	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NRuH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NRuH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	119.7710	0.000	1	119.7710	0.000	1	118.1849	0.321	58	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){3|N<3>}	120.0358	0.211	4	120.0358	0.045	4	120.0358	0.045	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]C){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.1340	0.830	2	120.1340	0.689	2	120.2490	0.319	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	120.6920	0.000	1	120.6920	0.000	1	120.2490	0.319	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|C<3>,1|H<1>,1|V<7>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]V){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	120.0360	0.000	1	120.0360	0.000	1	120.2490	0.319	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SCu2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	120.2062	0.190	4	120.2062	0.036	4	120.2062	0.036	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]F)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(F)	C[6](C[6]C[6a]C[6])(C[6]C[6]F)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(F){3|C<3>}	119.5005	0.026	2	119.5005	0.001	2	119.5005	0.001	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	120.0241	1.087	8	120.0241	1.181	8	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|I<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	121.3200	0.799	2	121.3200	0.638	2	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){3|C<3>}	121.5690	0.652	2	122.2335	0.416	6	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<3>}	122.4543	0.301	3	122.2335	0.416	6	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){3|C<3>}	122.9000	0.000	1	122.2335	0.416	6	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,3|C<3>,3|H<1>}	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|N<3>,3|C<3>}	119.9035	1.149	2	119.9035	1.320	2	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	119.5120	0.806	2	119.7713	0.214	13	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	119.8347	0.362	3	119.7713	0.214	13	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,2|C<3>}	119.4190	0.000	1	119.7713	0.214	13	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	119.6800	0.310	2	119.7713	0.214	13	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	120.6280	0.000	1	119.7713	0.214	13	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	119.4040	0.000	1	119.7713	0.214	13	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,2|C<3>}	119.7120	0.000	1	119.7713	0.214	13	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	119.6000	0.000	1	119.7713	0.214	13	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,2|C<3>}	120.3760	0.000	1	119.7713	0.214	13	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	119.2425	0.069	2	120.3975	0.742	18	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.4050	0.000	1	120.3975	0.742	18	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	120.2195	0.971	6	120.3975	0.742	18	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pt<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<6>,2|C<3>}	120.2365	0.678	2	120.3975	0.742	18	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	119.8490	0.000	1	120.3975	0.742	18	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	121.1043	0.495	6	120.3975	0.742	18	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ir<8>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,2|C<3>}	119.6335	0.114	2	121.0574	1.187	8	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,2|C<3>}	121.2040	0.539	4	121.0574	1.187	8	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	122.1880	0.854	2	121.0574	1.187	8	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|N<3>,3|C<3>}	120.0511	0.556	9	119.9892	0.254	19	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|N<3>,3|C<3>}	119.2550	0.000	1	119.9892	0.254	19	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	120.1707	0.499	3	119.9892	0.254	19	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|N<3>,3|C<3>}	119.3820	0.000	1	119.9892	0.254	19	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Re<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|N<3>,3|C<3>}	120.5810	0.000	1	119.9892	0.254	19	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ru<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|N<3>,3|C<3>}	119.9010	0.245	4	119.9892	0.254	19	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<4>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<4>,4|C<3>}	119.3868	0.860	6	120.3644	0.840	18	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,4|C<3>}	120.9248	0.560	6	120.3644	0.840	18	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,4|C<3>}	120.9495	0.088	2	120.3644	0.840	18	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,4|C<3>}	120.6977	0.300	4	120.3644	0.840	18	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	121.4150	0.572	3	121.4150	0.327	3	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]O[6]N)	C[6](C[6]C[6a]O[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]O[6]N){3|C<3>,3|H<1>}	C[6](C[6]C[6a]O[6])(C[6]C[6]H)(H){4|C<3>}	123.1380	0.000	1	123.1380	0.000	1	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){3|C<3>}	122.8570	0.000	1	122.8570	0.000	1	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){2|C<3>}	120.2740	0.000	1	120.1265	0.044	2	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){2|C<3>,2|H<1>}	119.9790	0.000	1	120.1265	0.044	2	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]Ta)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ta<10>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Ta)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|Ta<10>,1|C<4>,2|C<3>}	121.4760	0.000	1	121.4760	0.000	1	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	120.9620	0.000	1	120.9620	0.000	1	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	119.3200	0.000	1	119.8925	0.726	6	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,2|C<3>}	119.0820	0.000	1	119.8925	0.726	6	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,2|C<3>}	119.1150	0.000	1	119.8925	0.726	6	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.6127	0.492	3	119.8925	0.726	6	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,4|C<3>}	120.4880	0.000	1	120.4880	0.000	1	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,2|C<3>}	118.7897	0.820	6	118.6944	0.873	12	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,2|C<3>}	118.5992	1.108	6	118.6944	0.873	12	120.2635	1.292	122	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]Br)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|Br<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	123.0520	0.000	1	123.0520	0.000	1	122.7566	0.194	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<2>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<2>,2|C<3>}	123.0640	0.000	1	123.0640	0.000	1	122.7566	0.194	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|H<1>,2|C<3>}	122.0840	0.000	1	122.0840	0.000	1	122.7566	0.194	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<3>}	122.7915	0.375	2	122.7915	0.141	2	122.7566	0.194	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.3085	0.153	4	120.3085	0.024	4	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.1208	0.306	14	120.1208	0.094	14	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8200	0.270	4	119.8200	0.073	4	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.3800	0.939	4	121.3800	0.882	4	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1560	0.109	2	120.1560	0.012	2	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.7890	0.902	147	120.8416	0.872	152	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	122.3878	0.326	5	120.8416	0.872	152	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	118.9560	0.000	1	120.0768	0.433	190	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0972	0.650	185	120.0768	0.433	190	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.6780	0.211	2	120.0768	0.433	190	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1520	0.725	2	120.0768	0.433	190	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	121.5049	0.787	50	121.5049	0.619	50	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|H<1>,2|C<3>}	120.9590	0.100	2	120.9590	0.010	2	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]W)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|W<6>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]W)(H){1|H<1>,2|C<3>}	121.6260	0.000	1	121.6260	0.000	1	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.8520	0.217	4	120.1322	0.150	16	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	120.2256	0.392	12	120.1322	0.150	16	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9359	0.562	39	119.9359	0.316	39	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.7764	1.237	12	119.5251	0.758	27	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	119.3241	0.327	15	119.5251	0.758	27	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1768	0.839	92	119.1768	0.704	92	120.2352	1.035	597	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){3|C<3>}	121.6620	0.000	1	121.6620	0.000	1	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Rh<6>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.6450	0.000	1	120.6450	0.000	1	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[4]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	121.1910	0.052	2	121.1910	0.003	2	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cd<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7280	0.157	2	119.7280	0.025	2	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.8900	0.000	1	120.1572	0.210	40	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1384	0.449	39	120.1572	0.210	40	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2914	1.693	8	119.9239	1.464	20	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3690	0.614	8	119.9239	1.464	20	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2987	0.575	4	119.9239	1.464	20	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){3|C<3>}	120.5380	1.366	2	120.3634	0.794	10	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3197	0.862	8	120.3634	0.794	10	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Hg<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	123.0115	0.227	2	123.0115	0.052	2	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){3|C<3>}	119.7518	0.480	4	119.6731	1.103	55	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){3|C<3>}	119.7473	1.142	38	119.6731	1.103	55	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){3|C<3>}	119.5688	0.883	9	119.6731	1.103	55	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.1243	0.981	4	119.6731	1.103	55	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){3|C<3>}	120.0800	0.000	1	119.9372	0.331	26	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9653	0.574	24	119.9372	0.331	26	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){3|C<3>}	119.1210	0.000	1	119.9372	0.331	26	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ni<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1855	0.500	2	120.0630	0.163	30	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	119.7140	0.000	1	120.0630	0.163	30	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0575	0.412	26	120.0630	0.163	30	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(H){3|C<3>}	120.3110	0.000	1	120.0630	0.163	30	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Os<7>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(H){3|C<3>}	120.8420	0.000	1	120.8420	0.000	1	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7623	1.170	6	120.0085	0.784	14	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1931	0.622	8	120.0085	0.784	14	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){3|C<3>}	120.5387	0.363	3	119.8167	1.570	10	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4888	0.818	4	119.8167	1.570	10	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(H){3|C<3>}	119.5320	2.193	3	119.8167	1.570	10	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	121.1640	2.724	6	120.5257	2.828	17	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.9997	0.784	6	120.5257	2.828	17	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){3|C<3>}	120.3910	0.470	5	120.5257	2.828	17	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3426	1.776	8	120.3426	3.156	8	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){3|C<3>}	120.8263	0.318	4	120.8263	0.101	4	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Sm<12>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.0438	0.226	4	120.0438	0.051	4	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1530	0.593	4	120.0932	1.777	25	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.2050	1.757	14	120.0932	1.777	25	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.3080	0.000	1	120.0932	1.777	25	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8038	0.220	4	120.0932	1.777	25	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){3|C<3>}	119.6630	0.619	2	120.0932	1.777	25	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.3992	0.426	12	120.3992	0.181	12	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.3390	1.171	10	120.2401	1.175	12	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7455	0.018	2	120.2401	1.175	12	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.1850	0.291	6	120.1850	0.084	6	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8745	0.368	4	119.8141	0.250	15	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.8304	0.678	7	119.8141	0.250	15	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.7253	0.314	4	119.8141	0.250	15	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3420	1.072	2	119.3420	1.149	2	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.2447	0.975	20	119.2447	0.950	20	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.9515	0.480	2	118.9515	0.231	2	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0644	0.824	14	119.0644	0.680	14	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3335	1.199	2	119.3335	1.437	2	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.3687	0.429	3	119.3687	0.184	3	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.4959	0.725	24	119.4959	0.525	24	119.9388	1.020	384	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	P[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]P[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](P[6]C[6]Au)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]P[6]O)(H){1|Au<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<1>,1|P<3>,2|H<1>,3|C<3>}	C[6](P[6]C[6]Au)(C[6]C[6]H)(O){3|C<3>}	126.7520	0.000	1	126.7520	0.000	1	126.7520	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.5900	0.000	1	119.5900	0.000	1	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.6600	0.000	1	119.6600	0.000	1	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.3147	0.294	3	120.3550	0.073	5	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1840	0.000	1	120.3550	0.073	5	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]B){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.6470	0.000	1	120.3550	0.073	5	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.3040	0.140	2	120.4457	0.219	7	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.9240	0.000	1	120.4457	0.219	7	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.9420	0.354	2	120.4457	0.219	7	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.0290	0.000	1	120.4457	0.219	7	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.6750	0.000	1	120.4457	0.219	7	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.3020	0.000	1	119.7796	0.272	10	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4120	0.000	1	119.7796	0.272	10	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.0140	0.805	2	119.7796	0.272	10	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3960	0.000	1	119.7796	0.272	10	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|Pt<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.9530	0.000	1	119.7796	0.272	10	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8363	0.533	3	119.7796	0.272	10	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1960	0.000	1	119.7796	0.272	10	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.4040	0.000	1	121.3885	0.078	4	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.4010	0.000	1	121.3885	0.078	4	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.7170	0.000	1	121.3885	0.078	4	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.0320	0.000	1	121.3885	0.078	4	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]B)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]B){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.4570	0.000	1	121.4570	0.000	1	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1170	0.824	2	119.6930	0.743	4	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2690	0.471	2	119.6930	0.743	4	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.9530	0.000	1	120.3290	0.779	2	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.7050	0.000	1	120.3290	0.779	2	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	120.6340	0.397	2	120.9383	0.357	3	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	121.5470	0.000	1	120.9383	0.357	3	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|P<4>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	119.1440	0.000	1	119.1440	0.000	1	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Br<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	121.9460	0.000	1	119.3693	0.528	113	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,1|N<3>}	119.1750	0.000	1	119.3693	0.528	113	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.0950	0.667	7	119.3693	0.528	113	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3900	0.000	1	119.3693	0.528	113	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|Ir<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Ir<6>,1|C<3>,1|N<3>}	118.5738	0.496	4	119.3693	0.528	113	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5408	0.358	17	119.3693	0.528	113	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|S<1>}	118.4947	0.299	3	119.3693	0.528	113	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|S<2>}	118.9920	0.095	2	119.3693	0.528	113	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.1760	0.000	1	119.3693	0.528	113	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4003	0.730	76	119.3693	0.528	113	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	122.9280	0.000	1	121.7772	0.624	5	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.4895	0.529	4	121.7772	0.624	5	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1540	0.030	2	119.0114	1.377	17	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1740	0.000	1	119.0114	1.377	17	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6a]N[6a]2)(C[6]C[6]H)(N[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9794	1.299	14	119.0114	1.377	17	119.6043	0.916	174	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|S<1>,4|C<3>}	C[6](C[6]C[6]H)2(S){1|N<3>,2|C<3>}	121.3860	0.000	1	122.0170	0.796	2	122.0170	0.796	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(S)	C[6](C[6]C[6a]N[6])(C[6]C[6]S)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(S){1|C<3>,1|H<1>,1|N<3>}	122.6480	0.000	1	122.0170	0.796	2	122.0170	0.796	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|O<1>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]O)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.9350	0.000	1	120.9350	0.000	1	121.8773	0.698	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]Zn)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Zn<6>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6a]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.3485	0.251	2	122.3485	0.063	2	121.8773	0.698	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]Cl)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6a]N[6])(C[6]C[6]Cl)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(Cl){1|C<3>,1|H<1>,1|N<3>}	119.1770	0.000	1	119.1770	0.000	1	118.7810	0.314	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]Cl)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6a]N[6])(C[6]C[6]Cl)(H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	118.3850	0.000	1	118.3850	0.000	1	118.7810	0.314	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[5,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[5,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2230	0.000	1	120.2230	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[5,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6a]C[5,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|S<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0200	0.298	2	120.0200	0.089	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.6185	0.340	2	121.6185	0.116	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.1787	2.152	3	120.6866	1.927	7	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3175	0.586	4	120.6866	1.927	7	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[5a,6a]C[6a])(N[6]C[6]Rh)(C[6]C[6]H){1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1300	0.000	1	120.1300	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Cr)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.9232	0.265	11	119.9232	0.070	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.5920	0.215	2	119.5920	0.046	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.2412	0.369	4	119.9303	0.345	6	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.3085	0.397	2	119.9303	0.345	6	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Al<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Al)(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.9420	0.000	1	119.9420	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.2430	0.000	1	120.2430	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5523	0.400	3	120.5523	0.160	3	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.9570	0.000	2	121.2113	1.092	12	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.4710	0.000	2	121.2113	1.092	12	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	122.0250	0.000	1	121.2113	1.092	12	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0160	0.000	1	121.2113	1.092	12	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	121.6063	1.246	6	121.2113	1.092	12	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7031	1.181	7	120.6220	0.969	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4800	0.632	4	120.6220	0.969	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7010	0.000	1	120.7570	0.006	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.8130	0.000	1	120.7570	0.006	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ag<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ag)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.1715	0.796	4	120.1715	0.634	4	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Al<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.9388	0.711	6	120.1972	0.544	17	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.8828	0.404	6	120.1972	0.544	17	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|O<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.9470	0.000	1	120.1972	0.544	17	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Al)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	121.1188	0.548	4	120.1972	0.544	17	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.0200	0.317	2	121.0200	0.100	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2575	0.661	2	119.4058	1.115	56	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4040	0.000	1	119.4058	1.115	56	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.3840	0.000	1	119.4058	1.115	56	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8918	0.988	27	119.4058	1.115	56	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1176	0.609	19	119.4058	1.115	56	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7226	0.946	5	119.4058	1.115	56	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Au<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4970	0.000	1	119.4058	1.115	56	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.6080	0.031	2	119.6080	0.001	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.9170	0.447	3	120.0205	0.190	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.4990	0.000	1	120.0205	0.190	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.9630	0.013	2	120.0205	0.190	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.5125	0.093	2	120.0205	0.190	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.3040	0.416	2	120.0205	0.190	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4170	0.000	1	120.0205	0.190	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.9253	0.845	6	120.9253	0.713	6	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cr<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Cr<5>,1|C<3>,2|N<3>}	119.6490	0.361	2	119.8811	0.251	9	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Cr<6>,1|C<3>,2|N<3>}	119.6470	0.416	3	119.8811	0.251	9	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.6090	0.399	2	119.8811	0.251	9	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cr<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Cr<7>,1|C<3>,2|N<3>}	119.7365	0.005	2	119.8811	0.251	9	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.2210	0.201	2	119.2210	0.040	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.3267	0.723	27	119.5953	0.649	53	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	121.7240	0.000	1	119.5953	0.649	53	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0715	0.520	4	119.5953	0.649	53	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.4287	0.517	7	119.5953	0.649	53	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.0441	0.629	8	119.5953	0.649	53	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.8895	1.333	4	119.5953	0.649	53	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.4035	0.088	2	119.5953	0.649	53	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	120.9770	0.151	2	120.9770	0.023	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.6795	0.103	2	119.9282	0.315	31	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.1104	0.533	10	119.9282	0.315	31	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.8170	0.289	3	119.9282	0.315	31	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.0100	0.000	1	119.9282	0.315	31	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3440	0.000	1	119.9282	0.315	31	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.2040	0.263	2	119.9282	0.315	31	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.3740	1.655	2	119.9282	0.315	31	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.1660	0.000	1	119.9282	0.315	31	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,1|S<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.7863	0.389	3	119.9282	0.315	31	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.1435	0.449	2	119.9282	0.315	31	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1347	0.388	4	119.9282	0.315	31	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ga)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ga)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.9080	0.396	2	120.9080	0.157	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|B<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.1130	0.000	1	120.1130	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Ir<6>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	121.2640	2.103	2	121.2640	4.422	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.7219	1.208	8	120.1897	0.845	24	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.9236	0.623	16	120.1897	0.845	24	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	122.2615	0.021	2	122.2615	0.000	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	120.1160	0.000	1	120.1160	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.1610	0.000	1	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	122.0080	0.000	1	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7200	0.000	1	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2140	0.214	2	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.0260	0.000	1	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.8936	0.479	16	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7198	0.947	6	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4373	1.244	10	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2024	0.820	233	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4340	0.497	3	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8095	0.325	2	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0530	0.000	1	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7500	0.375	2	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3021	0.998	527	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.9592	0.238	4	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5840	1.597	2	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1470	0.344	6	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4688	0.923	42	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4300	0.112	2	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.3220	0.000	1	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.8535	0.326	2	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.0150	0.000	1	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.6730	0.008	2	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1586	0.509	23	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.1300	0.279	5	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<9>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.6160	1.984	2	120.2901	0.883	898	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.0663	0.419	3	120.1083	0.206	6	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.1503	0.579	3	120.1083	0.206	6	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H){1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.6210	0.000	1	119.0737	0.171	3	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.4310	0.000	1	119.0737	0.171	3	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Li<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Li)(C[6]C[6]H){1|N<3>,1|O<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.1690	0.000	1	119.0737	0.171	3	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mg<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mg)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6040	0.000	1	119.6040	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6420	0.000	1	120.0495	0.390	16	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.2940	0.382	4	120.0495	0.390	16	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.2235	0.026	2	120.0495	0.390	16	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.2615	0.039	2	120.0495	0.390	16	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.7190	0.000	1	120.0495	0.390	16	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0336	0.194	5	120.0495	0.390	16	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	121.1170	0.000	1	120.0495	0.390	16	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mo<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.2025	0.139	2	120.0353	0.045	4	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mo<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.8680	0.048	2	120.0353	0.045	4	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.7170	0.000	1	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.2620	0.000	1	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.1730	0.027	2	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	120.1455	0.252	2	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	123.2560	0.000	1	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.5050	0.420	2	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4380	0.000	1	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7704	0.154	5	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1420	0.000	1	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.9265	0.514	2	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.3852	0.882	8	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|O<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	121.2260	0.543	2	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.2301	0.284	8	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	121.5220	0.000	1	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.1175	0.351	2	120.1359	0.784	39	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0706	0.588	8	120.3585	0.360	32	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5448	0.585	19	120.3585	0.360	32	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Os<7>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.6530	0.000	1	120.3585	0.360	32	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Os<9>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2255	0.485	4	120.3585	0.360	32	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.6045	0.845	2	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.7480	0.000	1	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.6760	0.000	1	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.8795	0.349	2	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.4487	0.354	4	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.6350	0.000	1	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.6320	0.000	1	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.9957	0.223	3	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|O<2>,1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.5480	0.000	1	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	122.0485	1.501	2	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3680	0.000	2	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.4216	0.742	16	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8548	0.492	60	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3040	0.836	4	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.3558	1.796	4	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9705	0.771	4	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4745	0.383	6	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<7>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7782	0.862	4	119.8588	0.718	118	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.0845	0.482	2	120.0845	0.232	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.3752	0.345	4	120.6081	0.319	21	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.3990	0.000	1	120.6081	0.319	21	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.6689	0.635	15	120.6081	0.319	21	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.8370	0.000	1	120.6081	0.319	21	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	119.4425	0.306	2	119.4425	0.094	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.6290	0.000	1	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.1720	0.675	2	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9795	0.443	2	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.0900	0.000	1	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.5741	0.460	8	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2170	0.000	1	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8810	0.000	1	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8971	0.657	22	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.1310	0.000	1	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.0305	0.144	8	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.3561	1.008	88	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.9860	0.000	1	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0107	0.839	203	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5021	0.668	9	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.3720	0.515	6	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7020	0.000	1	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0150	0.000	1	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.0110	0.000	1	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8863	0.112	4	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.3556	0.705	17	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.7700	0.000	1	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7652	0.484	29	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.7564	0.742	5	119.7849	0.794	413	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.5560	0.171	2	120.0790	0.835	3	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.1250	0.000	1	120.0790	0.835	3	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9669	0.292	8	120.0726	0.422	63	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Rh<8>,1|C<3>,2|N<3>}	120.0075	0.387	2	120.0726	0.422	63	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2967	0.199	3	120.0726	0.422	63	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	120.2250	0.000	1	120.0726	0.422	63	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7887	0.479	3	120.0726	0.422	63	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|O<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7330	0.000	1	120.0726	0.422	63	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8003	0.533	31	120.0726	0.422	63	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.6920	0.000	1	120.0726	0.422	63	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.0440	0.284	6	120.0726	0.422	63	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<9>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Rh<9>,1|C<3>,2|N<3>}	119.1207	0.665	3	120.0726	0.422	63	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.6210	0.436	4	120.0726	0.422	63	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<5>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|N<5>}	119.6990	0.000	1	120.0528	0.307	43	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.2662	0.488	4	120.0528	0.307	43	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.0285	0.237	2	120.0528	0.307	43	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.6890	0.000	1	120.0528	0.307	43	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.6575	0.316	2	120.0528	0.307	43	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2545	0.523	23	120.0528	0.307	43	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9005	0.168	2	120.0528	0.307	43	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5850	0.000	1	120.0528	0.307	43	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5030	0.000	1	120.0528	0.307	43	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|S<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7880	0.000	1	120.0528	0.307	43	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7832	0.432	5	120.0528	0.307	43	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Te)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Te<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Te)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.6960	0.000	1	118.5473	0.855	3	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Te)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Te<7>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Te)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9730	0.789	2	118.5473	0.855	3	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ti)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ti<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ti)(C[6]C[6]H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Ti<7>,1|C<3>,2|N<3>}	119.7380	0.452	4	119.7380	0.204	4	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.7235	0.449	4	119.6956	0.689	19	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1570	0.000	1	119.6956	0.689	19	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8790	0.232	2	119.6956	0.689	19	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.3260	1.090	8	119.6956	0.689	19	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|O<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.1997	0.587	4	119.6956	0.689	19	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zr<11>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zr)(C[6]C[6]H){1|B<3>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Zr<11>,1|C<3>,2|N<3>}	119.5255	0.322	2	119.5255	0.104	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]As)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|As<2>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]As)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5220	0.000	1	119.5220	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2722	0.991	17	119.2722	0.983	17	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.8760	0.000	1	119.2535	0.269	8	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.5480	0.000	1	119.2535	0.269	8	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2673	0.446	6	119.2535	0.269	8	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]In)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|In<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]In)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7600	0.000	1	119.7600	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7054	0.848	5	119.0939	0.964	7	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.0650	0.516	2	119.0939	0.964	7	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.2550	0.000	1	120.2550	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.9820	0.000	1	119.9820	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7175	0.381	8	119.8945	0.398	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	120.0890	0.000	1	119.8945	0.398	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.4880	0.000	1	119.8945	0.398	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5230	0.000	1	119.8945	0.398	11	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8803	0.221	6	119.6353	0.238	9	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8605	0.302	2	119.6353	0.238	9	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7150	0.000	1	119.6353	0.238	9	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.1093	0.770	7	119.9305	0.764	8	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6790	0.000	1	119.9305	0.764	8	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7995	0.911	2	120.1560	0.660	4	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9460	0.000	1	120.1560	0.660	4	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.0790	0.000	1	120.1560	0.660	4	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.9140	0.000	1	119.7740	1.479	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.6340	0.000	1	119.7740	1.479	2	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1288	0.362	6	119.1288	0.131	6	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6a]N[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2000	0.000	1	118.2000	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(N[6]C[6]Eu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|Eu<11>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6a]N[6a]2)(N[6]C[6]Eu)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8470	0.000	1	118.8470	0.000	1	120.0665	0.859	2059	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]I)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(I)	C[6](C[6]C[6a]N[6])(C[6]C[6]I)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|I<1>,4|C<3>}	C[6](C[6]C[6]H)2(I){1|N<3>,2|C<3>}	118.6715	1.114	2	118.6715	1.240	2	118.6715	1.240	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Ga-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](GaC[6a]N[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ga)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](GaC[6a]N[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ga<3>,1|C<3>}	121.8700	0.000	1	121.8700	0.000	1	121.8700	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.9587	0.983	3	118.6195	0.285	11	118.9972	0.492	110	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4922	0.250	8	118.6195	0.285	11	118.9972	0.492	110	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]C[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.7543	0.608	44	118.7543	0.370	44	118.9972	0.492	110	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3770	0.732	4	118.3770	0.535	4	118.9972	0.492	110	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]C[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.7840	0.205	2	119.7840	0.042	2	118.9972	0.492	110	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]C[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.4082	0.087	4	119.4082	0.008	4	118.9972	0.492	110	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]C[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3975	0.891	4	119.6459	0.505	20	118.9972	0.492	110	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]C[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.7080	0.679	16	119.6459	0.505	20	118.9972	0.492	110	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1261	0.495	17	119.1261	0.245	17	118.9972	0.492	110	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.6675	0.626	6	118.8649	0.458	8	118.9972	0.492	110	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](NC[6a]C[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4570	0.559	2	118.8649	0.458	8	118.9972	0.492	110	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[3x6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[3x6]C)(C[6]C[6]H)(H)	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP)	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H)	C[6](C[6]N[3x6]C)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](N[3x6]Ge[3x6]C[3x6])(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	120.2780	0.000	1	120.2780	0.000	1	120.2780	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[4,6]N)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(NB[4]Si)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[4,6]N)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(NB[4]Si){1|Cl<1>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){3|N<3>}	119.6667	0.392	3	119.6667	0.154	3	119.6667	0.154	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(CCN)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]H)(CCN){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	118.9810	0.000	1	118.9810	0.000	1	119.1621	0.789	8	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(CHN)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<2>}	C[6](N[5,6]C[5,6]P[5])(C[6]C[6]H)(CHN){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	120.2780	1.196	2	120.2780	1.431	2	119.1621	0.789	8	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]In[3x5]C[5,6])(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[3x5]C[5,6])(C[6]C[6]H)(COO){1|H<1>,2|C<3>,2|N<3>,3|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	118.6107	0.524	3	118.6107	0.275	3	119.1621	0.789	8	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(CCN)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(CCN){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	118.9640	0.158	2	118.9640	0.025	2	119.1621	0.789	8	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C[6])(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]N[6])(C[6]C[6]H){1|Br<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	121.3090	0.000	1	121.3090	0.000	1	121.3090	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]N)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(NSiH)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]N)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(NSiH){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	120.3870	0.000	1	120.3870	0.000	1	120.3870	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]N)(C[6]N[6]H)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(NHH)	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[5,6]Cu)(C[6]C[6]H)(H){3|N<3>}	123.3120	4.951	2	123.3120	24.514	2	123.3120	24.514	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(PC[6a]2)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(PC[6a]2){2|Cl<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<3>}	119.1015	0.170	2	119.1015	0.029	2	119.4912	0.325	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(PC[6a]2)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H){1|In<5>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(PC[6a]2){2|Cl<1>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<3>}	119.8810	0.583	2	119.8810	0.339	2	119.4912	0.325	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C[6a])(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6a]C[6a]N[6a])(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C[6a])(C[6]C[6]H)(H){1|Ga<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5,6]C[5,6]Ga[5])(C[6a]C[6a]N[6a])(C[6]C[6]H){2|Cl<1>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	118.5555	0.312	2	118.5555	0.097	2	118.5555	0.097	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[5]C[5]N[5])(C[6]C[6]H)2{1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>}	119.0980	0.000	1	119.0980	0.000	1	119.0980	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]In[5,5])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|In<6>,2|C<3>,2|H<1>}	C[6](N[5]C[5,6a]In[5,5])(C[6]C[6]H)(N[6]C[6]H){3|Cl<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.3000	0.000	1	120.3000	0.000	1	120.3000	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6,6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6,6]Ni)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6,6]H)(H){1|Ni<6>,1|N<3>,3|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6,6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	118.6323	0.459	3	118.6323	0.211	3	118.6323	0.211	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]B[5]C[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|B<3>,1|C<3>,1|C<4>,1|H<1>}	C[6](N[5]B[5]C[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.8910	0.000	1	119.8910	0.000	1	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]B[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|B<3>,1|H<1>,2|C<3>}	C[6](N[5]C[5,6a]B[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1140	0.000	1	119.1140	0.000	1	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.9310	3.647	2	118.1827	6.841	3	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.6860	0.000	1	118.1827	6.841	3	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1200	0.000	1	119.1200	0.000	1	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Mn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.8100	0.000	1	117.8100	0.000	1	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.6500	0.000	1	117.7478	0.158	6	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.5550	0.000	1	117.7478	0.158	6	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.5705	0.028	4	117.7478	0.158	6	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.5567	0.478	3	118.5567	0.229	3	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.8520	0.025	2	119.8520	0.001	2	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.8555	1.344	2	118.1665	0.560	8	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.4085	0.019	2	118.1665	0.560	8	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.2770	0.000	1	118.1665	0.560	8	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1757	0.018	3	118.1665	0.560	8	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5,6a]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.0300	0.183	4	117.0300	0.033	4	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5,6a]N[5])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.6770	0.000	1	117.6770	0.000	1	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5,6a]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5,6a]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	116.5620	0.000	1	116.5620	0.000	1	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Al<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.2100	0.000	1	118.2100	0.000	1	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|Cl<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	117.3645	0.504	2	117.3645	0.254	2	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.0255	0.325	6	116.8908	0.180	9	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	116.6213	0.542	3	116.8908	0.180	9	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Cr)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.6040	0.173	2	117.6040	0.030	2	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cl<1>,1|Cu<6>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	117.4510	0.140	2	117.4510	0.020	2	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.3555	0.162	2	117.3450	0.234	9	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.1810	0.000	1	117.3450	0.234	9	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.1115	0.166	2	117.3450	0.234	9	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	116.9975	0.213	4	117.3450	0.234	9	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.3695	0.148	2	116.6157	1.418	56	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	116.7515	0.438	42	116.6157	1.418	56	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	116.0147	2.410	12	116.6157	1.418	56	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	116.7300	0.000	1	117.4978	0.369	5	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.7320	0.850	2	117.4978	0.369	5	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|Ir<8>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.5770	0.000	1	117.4978	0.369	5	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.7180	0.000	1	117.4978	0.369	5	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.5450	0.054	2	117.5450	0.003	2	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cl<1>,1|Ni<6>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(H){1|C<3>,2|N<3>}	117.1875	0.354	2	117.1875	0.126	2	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	116.6748	0.353	4	116.9477	0.633	10	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.9373	0.669	3	116.9477	0.633	10	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	116.3220	0.099	3	116.9477	0.633	10	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.0618	0.275	5	117.0182	0.072	6	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	116.8000	0.000	1	117.0182	0.072	6	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Re)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.3330	0.000	1	117.3330	0.000	1	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.5730	0.000	1	117.4173	0.691	14	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.3067	1.181	6	117.4173	0.691	14	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.3305	0.134	2	117.4173	0.691	14	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.2960	0.000	1	117.4173	0.691	14	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.3680	0.603	4	117.4173	0.691	14	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Sm<14>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Sm)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.8170	0.000	1	117.8170	0.000	1	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.1085	0.158	2	116.9064	0.133	14	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|Zn<5>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.7370	0.000	1	116.9064	0.133	14	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.0770	0.000	1	116.9064	0.133	14	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.1255	0.354	2	116.9064	0.133	14	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	116.6697	0.162	4	116.9064	0.133	14	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	116.6820	0.244	4	116.9064	0.133	14	117.1780	1.149	168	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]N)(C[6]N[6]H)(H)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH)	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6]H)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	120.4640	0.000	1	120.4640	0.000	1	120.4640	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]C[6a])(C[6]C[6]H)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]C[6a])(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,4|C<3>,4|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	125.4550	0.000	1	125.4550	0.000	1	125.4550	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Re<6>,1|H<1>,5|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,2|C<3>,2|N<3>}	118.4820	0.178	2	118.4820	0.032	2	119.0783	2.144	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|N<3>}	117.8855	0.610	2	117.8855	0.372	2	119.0783	2.144	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>}	121.2900	0.000	1	121.2900	0.000	1	119.0783	2.144	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4450	0.000	1	120.4450	0.000	1	119.0783	2.144	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|Ru<6>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O){1|Ru<6>,2|C<3>,2|N<3>}	121.8430	0.253	2	121.8430	0.064	2	122.3057	0.674	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O)	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	123.2310	0.000	1	123.2310	0.000	1	122.3057	0.674	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Cd<4>,1|H<1>,3|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.0115	1.535	2	117.2000	0.931	4	118.0801	1.518	8	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|H<1>,3|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.3885	0.544	2	117.2000	0.931	4	118.0801	1.518	8	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Ru<9>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.9603	0.738	4	118.9603	0.544	4	118.0801	1.518	8	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){3|N<3>}	115.7760	0.000	1	115.7760	0.000	1	115.7760	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a,6]C[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](N[5a]C[5a,6]C[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.2010	0.000	1	119.2010	0.000	1	119.0176	0.951	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3215	0.771	2	118.3215	0.595	2	119.0176	0.951	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9678	0.428	6	118.9678	0.183	6	119.0176	0.951	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.1792	0.418	5	120.1792	0.175	5	119.0176	0.951	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,3|C<3>}	C[6](N[5a]C[5a,6a]C[5a])(N[6]C[6]Ru)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.6020	0.000	1	117.6020	0.000	1	119.0176	0.951	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a]2)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](N[5a]C[5a]2)(N[6]C[6]Re)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.5710	0.112	2	117.5710	0.012	2	119.0176	0.951	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5a]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.0260	0.000	1	119.0260	0.000	1	119.0176	0.951	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	120.3380	0.554	3	120.3380	0.306	3	120.3380	0.306	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]C[6])(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(C[6]N[6]2){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	120.2900	0.000	1	120.2900	0.000	1	120.2900	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:O-1:	C[6](C[6]N[6,6]C[6a])(C[6]N[6]O)(H)	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]N[6,6]C[6a])(C[6]N[6]O)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<3>}	120.9850	0.000	1	120.9850	0.000	1	120.9850	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(CC[5]C[6])(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(CC[5]C[6])(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.6410	0.061	2	120.6410	0.004	2	120.6410	0.004	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H)	C[6](N[6]C[6,6]Ru)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,1|C<4>,3|C<3>}	C[6](N[6]C[6,6]Ru)(C[5]C[5]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.3150	0.000	1	119.3150	0.000	1	119.3150	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Co)(C[5]N[5]O[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Co<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Co)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.7640	0.066	2	117.7640	0.004	2	118.4767	1.069	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.9247	0.960	3	117.9247	0.922	3	118.4767	1.069	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.8970	0.748	2	118.8970	0.560	2	118.4767	1.069	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Ir<6>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.9890	0.000	1	119.9890	0.000	1	118.4767	1.069	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[5]N[5]O[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Ir<8>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Ir)(C[5]N[5]O[5])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.6585	1.752	2	117.6585	3.068	2	118.4767	1.069	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Mn)(C[5]N[5]O[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Mn<6>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Mn)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.4820	0.000	1	118.4820	0.000	1	118.4767	1.069	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Pd)(C[5]C[5]N[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[5]C[5]N[5])(C[6]C[6]H){1|Pd<4>,1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.1230	0.000	1	120.1230	0.000	1	118.4767	1.069	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Pd)(C[5]N[5]O[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Pd<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[5]N[5]O[5])(C[6]C[6]H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.3200	0.000	1	118.3200	0.000	1	118.4767	1.069	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Zn<5>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Zn)(C[5]N[5]2)(C[6]C[6]H){1|Zn<5>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.2420	1.404	2	118.6942	0.930	4	118.4767	1.069	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6a]H)(H){1|Zn<6>,2|C<3>,2|N<3>}	C[6](N[6]C[6,6a]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.1465	0.023	2	118.6942	0.930	4	118.4767	1.069	17	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ag)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ag)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1120	0.109	2	119.1120	0.012	2	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Al)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Al)(C[5]N[5]2)(C[6]C[6]H){1|Al<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.2320	0.000	1	118.4660	0.110	2	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Al)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Al<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Al)(C[5]N[5]2)(C[6]C[6]H){1|Al<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7000	0.000	1	118.4660	0.110	2	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4240	0.000	1	118.3301	0.438	12	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.5530	0.000	1	118.3301	0.438	12	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9530	0.000	1	118.3301	0.438	12	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1760	0.000	1	118.3301	0.438	12	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2020	0.000	1	118.3301	0.438	12	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3970	0.062	2	118.3301	0.438	12	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.7062	0.084	4	118.3301	0.438	12	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cd)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0340	0.000	1	118.3301	0.438	12	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Co)(C[5]C[5]2)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2560	0.194	2	119.2560	0.038	2	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.2650	0.000	1	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8467	0.095	3	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3183	0.783	3	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.8033	0.124	3	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5890	0.000	1	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6513	0.181	3	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5983	0.384	7	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5470	0.000	1	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4080	0.000	1	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3713	0.202	15	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4813	0.208	3	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.0740	0.000	1	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.4360	0.000	1	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.6343	0.251	3	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2345	0.118	2	118.3490	0.227	48	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.3380	0.000	1	117.8328	0.427	6	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.1277	0.598	4	117.8328	0.427	6	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cr)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.1480	0.000	1	117.8328	0.427	6	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|C<4>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.8525	0.021	2	118.6780	0.092	3	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.3290	0.000	1	118.6780	0.092	3	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2255	0.347	4	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6726	0.303	7	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7520	0.000	1	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2353	0.489	3	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.0270	0.000	1	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7485	0.022	2	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3700	0.000	1	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|Cu<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.8835	0.128	2	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2430	0.000	1	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0132	0.473	4	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4820	0.000	1	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8753	1.332	3	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.0390	0.000	1	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3740	0.692	8	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1020	0.496	2	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4022	0.474	4	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9505	1.240	4	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9195	0.059	2	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.4220	0.000	1	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.0820	0.000	1	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.7450	0.861	2	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7170	0.201	2	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4890	0.000	1	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|Cu<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9020	0.000	1	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Cu)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9180	0.000	1	118.4392	0.397	60	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.6080	0.000	1	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.0540	0.000	1	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.1670	0.000	1	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6615	0.218	4	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8570	0.439	4	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3589	0.546	70	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2080	0.000	1	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6083	0.576	6	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1355	0.233	2	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4267	0.158	6	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9925	0.105	4	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3203	0.378	4	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0680	0.000	1	118.4099	0.275	105	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Hg)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Hg)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2430	0.000	1	118.9775	0.141	2	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Hg)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Hg<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Hg)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7120	0.000	1	118.9775	0.141	2	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Ir)(C[5]C[5]2)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8870	0.000	1	119.7793	0.058	3	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Ir)(C[5]C[5]2)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7255	0.315	2	119.7793	0.058	3	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9320	0.000	1	118.8714	0.470	25	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0750	0.000	1	118.8714	0.470	25	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|C<4>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9380	0.000	1	118.8714	0.470	25	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7775	0.694	6	118.8714	0.470	25	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1470	0.690	2	118.8714	0.470	25	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7063	0.233	3	118.8714	0.470	25	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5938	0.943	4	118.8714	0.470	25	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8370	0.796	4	118.8714	0.470	25	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7970	0.000	2	118.8714	0.470	25	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ir)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.4460	0.000	1	118.8714	0.470	25	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.0510	0.525	2	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6400	0.000	1	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6701	0.744	11	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1880	0.000	1	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3460	0.071	2	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2355	0.532	2	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2120	0.000	1	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1805	0.354	2	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2350	0.000	1	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.0450	0.000	1	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.7323	0.594	7	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0132	0.415	4	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.0105	0.142	2	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8990	0.000	1	118.4583	0.479	38	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<2>,1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.5540	0.000	1	118.5540	0.000	1	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.7620	0.000	1	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7063	0.145	3	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9545	0.084	2	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6330	0.315	3	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.1720	0.402	2	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5150	0.000	1	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3427	0.300	4	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4310	0.000	1	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.8205	0.155	4	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6030	0.000	1	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9220	0.000	1	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.7677	0.441	10	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ni)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.8252	1.919	4	118.5442	1.854	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Os)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Os<6>,1|C<3>,1|C<4>,2|N<3>}	C[6](N[6]C[6]Os)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	120.2124	1.680	9	120.2124	2.822	9	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Os)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Os<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Os)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6807	1.931	6	118.6807	3.729	6	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pd)(C[5]C[5]2)(C[6]C[6]H){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5550	0.000	1	120.5550	0.000	1	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1170	0.518	2	119.2092	0.210	6	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7200	0.000	1	119.2092	0.210	6	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6290	0.000	1	119.2092	0.210	6	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6810	0.000	1	119.2092	0.210	6	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Pd)(C[5]N[5]2)(C[6]C[6]H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9910	0.000	1	119.2092	0.210	6	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.3370	0.000	1	118.6035	1.926	8	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0430	0.973	3	118.6035	1.926	8	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Pt)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.8405	0.692	4	118.6035	1.926	8	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8000	0.000	1	119.9759	9.348	13	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4415	0.456	2	119.9759	9.348	13	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|Au<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7980	0.000	1	119.9759	9.348	13	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0310	0.679	2	119.9759	9.348	13	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.6918	4.643	5	119.9759	9.348	13	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6200	0.000	1	119.9759	9.348	13	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0650	0.000	1	119.9759	9.348	13	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Ru)(C[5]C[5]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0155	0.214	2	120.0155	0.046	2	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7580	0.000	1	118.5301	1.381	9	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	116.1320	0.000	1	118.5301	1.381	9	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.4930	0.000	1	118.5301	1.381	9	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.6170	0.000	1	118.5301	1.381	9	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7260	0.000	1	118.5301	1.381	9	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4050	0.000	1	118.5301	1.381	9	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3460	0.000	1	118.5301	1.381	9	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Ru)(C[5]N[5]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6470	0.403	2	118.5301	1.381	9	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Sn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Sn<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Sn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7525	0.030	2	118.7525	0.001	2	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.6580	0.000	1	118.6580	0.000	1	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1943	0.215	3	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.0970	0.000	1	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5685	0.132	2	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4630	0.000	1	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	120.7770	0.000	1	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.8430	0.000	1	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3925	0.096	8	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.5715	0.015	2	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3710	0.000	1	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7160	0.000	1	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.0840	0.000	1	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8750	0.000	1	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3940	0.000	1	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.8778	0.055	4	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3110	0.000	1	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Zn)(C[5]N[5]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.6900	0.111	8	118.1882	0.327	37	118.5596	1.007	440	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5a]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H)	C[6](N[6]C[6,6]Ru)(C[5a]C[5a]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6]H)(H){1|Ru<5>,4|C<3>}	C[6](N[6]C[6,6]Ru)(C[5a]C[5a]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.7790	0.000	1	119.7790	0.000	1	119.7790	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Fe)(C[5a]N[5a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]H)(H){1|Fe<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Fe)(C[5a]N[5a]2)(C[6]C[6]H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.8690	0.395	4	119.8690	0.156	4	119.8690	0.156	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	117.1025	0.202	2	117.1025	0.041	2	117.1457	0.459	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	117.6615	0.564	2	117.6615	0.318	2	117.1457	0.459	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<3>}	116.6730	0.976	2	116.6730	0.952	2	117.1457	0.459	6	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CCH){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.9330	0.000	1	120.9330	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7820	0.068	2	118.4643	0.305	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.8290	0.000	1	118.4643	0.305	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	120.8930	0.000	1	120.6368	0.100	5	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5727	0.326	4	120.6368	0.100	5	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6550	0.000	1	119.6791	0.157	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.8537	0.724	3	119.6791	0.157	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5300	0.146	3	119.6791	0.157	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.6530	0.049	2	119.6791	0.157	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.5910	0.000	1	119.2707	1.695	25	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2930	1.505	14	119.2707	1.695	25	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2075	1.110	10	119.2707	1.695	25	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5945	0.261	4	119.5945	0.068	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7570	0.000	1	120.7570	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2505	0.305	4	118.2505	0.093	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.7310	0.221	4	117.7310	0.049	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CSiC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CSiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.9060	0.963	2	120.9060	0.928	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Au)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Au<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Au)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.5660	0.414	2	119.5660	0.172	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Bi)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Bi<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Bi)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4670	0.000	1	119.4670	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0452	0.286	5	119.0452	0.082	5	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6620	0.234	3	118.6620	0.055	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9894	0.393	5	119.1490	0.211	14	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9715	0.861	2	119.1490	0.211	14	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3137	0.409	7	119.1490	0.211	14	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9160	0.325	2	118.9160	0.106	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2190	0.140	2	119.5169	0.095	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6020	0.291	7	119.5169	0.095	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.2810	0.000	1	118.6627	0.701	14	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	117.0740	0.279	2	118.6627	0.701	14	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0053	0.326	4	118.6627	0.701	14	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.0695	0.013	2	118.6627	0.701	14	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0590	0.536	4	118.6627	0.701	14	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4530	0.000	1	118.6627	0.701	14	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2980	0.000	1	119.2980	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.0632	0.324	4	118.7161	0.356	25	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3910	0.275	4	118.7161	0.356	25	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6995	0.592	4	118.7161	0.356	25	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7144	0.281	13	118.7161	0.356	25	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5440	0.528	2	120.9318	0.333	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.1257	0.559	4	120.9318	0.333	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	117.2040	0.806	4	117.2040	0.649	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.6550	0.000	1	118.9943	0.540	161	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.3065	0.733	56	118.9943	0.540	161	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3687	0.311	3	118.9943	0.540	161	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6794	0.628	61	118.9943	0.540	161	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2977	0.683	9	118.9943	0.540	161	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0976	0.832	20	118.9943	0.540	161	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5530	0.239	11	118.9943	0.540	161	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7153	0.171	3	118.7153	0.029	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]C){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9440	1.001	2	118.9440	1.003	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.0160	0.000	1	119.3872	0.702	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1765	0.292	4	119.3872	0.702	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0660	1.063	4	119.3872	0.702	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6365	0.302	2	119.3872	0.702	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2190	0.000	1	119.2190	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CClN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CClN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3324	0.291	8	118.3324	0.085	8	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0033	0.528	8	118.9611	0.620	69	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1885	0.327	2	118.9611	0.620	69	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9717	0.367	3	118.9611	0.620	69	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.4363	0.334	4	118.9611	0.620	69	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	119.2215	0.050	2	118.9611	0.620	69	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7777	1.431	6	118.9611	0.620	69	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7080	0.594	25	118.9611	0.620	69	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|N<3>}	118.6735	1.807	2	118.9611	0.620	69	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7704	0.565	17	118.9611	0.620	69	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.9545	0.254	2	121.9545	0.064	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.4280	0.186	4	117.4280	0.035	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.2450	0.000	1	118.7822	0.787	114	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6104	0.096	5	118.7822	0.787	114	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1562	0.990	49	118.7822	0.787	114	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4952	0.715	59	118.7822	0.787	114	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9480	0.000	1	118.4157	0.478	78	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1580	0.000	1	118.4157	0.478	78	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9298	1.100	17	118.4157	0.478	78	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2618	0.443	58	118.4157	0.478	78	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3290	0.000	1	118.4157	0.478	78	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.1240	0.000	1	120.2657	0.019	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3365	0.091	2	120.2657	0.019	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	118.3810	0.000	1	118.3810	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5505	0.062	2	118.5505	0.004	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7670	0.007	2	119.4515	1.035	15	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3360	0.297	4	119.4515	1.035	15	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5690	0.337	5	119.4515	1.035	15	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2525	0.443	2	119.4515	1.035	15	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7725	0.063	2	119.4515	1.035	15	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.4190	0.000	1	121.1297	0.379	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	121.4850	0.000	2	121.1297	0.379	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2938	0.695	20	119.2938	0.483	20	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.8280	0.000	1	117.9628	0.074	15	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4710	0.276	2	117.9628	0.074	15	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.8893	0.181	12	117.9628	0.074	15	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.0100	0.000	1	120.8190	0.276	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7808	0.578	5	120.8190	0.276	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1697	0.419	9	118.8621	0.443	45	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1462	1.053	5	118.8621	0.443	45	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9962	0.612	17	118.8621	0.443	45	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3974	0.576	10	118.8621	0.443	45	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4070	0.215	4	118.8621	0.443	45	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1570	0.000	1	119.1570	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.8640	0.778	2	120.8640	0.605	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9530	0.000	1	120.2850	0.972	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7290	0.524	3	120.2850	0.972	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5375	0.476	2	118.5375	0.226	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5775	0.565	2	119.5775	0.319	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5000	0.000	1	119.2840	0.093	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0680	0.000	1	119.2840	0.093	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3080	0.000	1	119.3080	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]P)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6a]P){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2545	0.757	2	119.2545	0.574	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3860	0.000	1	118.6946	0.249	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8155	0.368	29	118.6946	0.249	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4790	0.175	2	118.6946	0.249	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.1428	0.367	6	118.6946	0.249	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7432	0.752	22	118.6946	0.249	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7897	0.416	3	118.6946	0.249	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3230	0.000	1	118.6946	0.249	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6790	0.350	28	118.6946	0.249	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0090	0.033	2	119.0090	0.001	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4045	0.378	2	118.4045	0.143	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7445	0.179	2	118.5118	0.357	59	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0473	0.346	6	118.5118	0.357	59	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.1338	0.421	24	118.5118	0.357	59	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.5990	0.000	1	118.5118	0.357	59	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9101	0.501	20	118.5118	0.357	59	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.9062	0.320	4	118.5118	0.357	59	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3935	0.991	2	118.5118	0.357	59	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7620	0.000	1	118.3258	0.327	76	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4145	0.408	6	118.3258	0.327	76	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.5444	1.067	5	118.3258	0.327	76	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.2270	0.341	2	118.3258	0.327	76	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2273	0.138	3	118.3258	0.327	76	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.9401	0.332	29	118.3258	0.327	76	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.9663	0.218	3	118.3258	0.327	76	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5737	0.490	27	118.3258	0.327	76	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Er)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Er<12>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Er)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0090	0.559	4	119.0090	0.313	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<12>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7417	0.536	4	118.7417	0.287	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4975	0.373	2	118.4975	0.139	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.9710	0.140	2	120.9582	0.009	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.9455	0.074	2	120.9582	0.009	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.2815	0.301	2	119.0013	0.433	225	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.4609	0.307	17	119.0013	0.433	225	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.5750	0.000	1	119.0013	0.433	225	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.8130	2.230	2	119.0013	0.433	225	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0790	0.379	4	119.0013	0.433	225	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9729	0.673	123	119.0013	0.433	225	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	119.4930	0.000	1	119.0013	0.433	225	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7750	0.000	1	119.0013	0.433	225	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0286	0.816	13	119.0013	0.433	225	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0409	0.633	33	119.0013	0.433	225	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5350	0.133	2	119.0013	0.433	225	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7942	0.521	26	119.0013	0.433	225	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8370	0.000	1	118.8370	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.6520	0.000	1	121.6520	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.8180	0.000	1	120.8180	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7985	0.223	2	119.0773	0.155	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.3560	0.322	2	119.0773	0.155	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7415	0.255	2	119.5956	0.715	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4506	0.536	8	119.5956	0.715	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	121.0295	0.234	2	119.5956	0.715	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]P)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]P){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.3960	0.226	2	120.3960	0.051	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7790	0.000	1	118.9521	0.551	141	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4300	0.000	1	118.9521	0.551	141	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1100	0.260	4	118.9521	0.551	141	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.8225	0.280	4	118.9521	0.551	141	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9146	0.462	11	118.9521	0.551	141	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1747	0.647	3	118.9521	0.551	141	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7795	0.364	57	118.9521	0.551	141	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8995	0.913	54	118.9521	0.551	141	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.8895	0.159	4	118.9521	0.551	141	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0760	0.113	2	118.9521	0.551	141	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.0932	1.487	4	117.9959	1.160	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.8660	0.347	3	117.9959	1.160	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.0385	0.551	2	118.9411	0.825	108	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7430	0.467	2	118.9411	0.825	108	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2767	0.388	3	118.9411	0.825	108	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.9554	0.363	5	118.9411	0.825	108	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0643	0.928	87	118.9411	0.825	108	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<3>,1|N<3>}	120.2640	0.000	1	118.9411	0.825	108	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8060	0.451	2	118.9411	0.825	108	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.1840	0.174	2	118.9411	0.825	108	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6575	0.171	4	118.9411	0.825	108	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1050	0.000	1	119.4272	0.270	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2745	0.573	4	119.4272	0.270	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.5827	0.523	6	119.4272	0.270	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1735	1.627	2	120.6383	1.972	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.5680	0.000	1	120.6383	1.972	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5470	0.000	1	118.0082	0.434	86	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9780	0.526	7	118.0082	0.434	86	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.9143	0.600	78	118.0082	0.434	86	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COS){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	118.4620	0.000	1	118.4620	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.7053	0.862	4	117.7053	0.743	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8080	1.216	3	118.8080	1.478	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ge<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ge)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9170	0.095	2	118.9170	0.009	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0141	1.093	16	119.0141	1.195	16	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2970	0.000	1	119.2970	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6460	0.000	1	119.4697	0.967	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3815	1.374	2	119.4697	0.967	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4585	1.903	6	118.7325	1.756	15	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.9810	0.178	2	118.7325	1.756	15	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.7023	0.466	3	118.7325	1.756	15	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5418	0.875	4	118.7325	1.756	15	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9850	0.000	1	118.9850	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6176	1.049	5	119.6176	1.100	5	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CClC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CClC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3230	0.000	1	119.3230	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6518	1.247	10	118.5328	1.443	18	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3841	1.208	8	118.5328	1.443	18	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.8230	0.000	1	120.8230	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.0245	0.414	4	120.7538	0.341	10	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.4810	0.672	5	120.7538	0.341	10	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.0350	0.000	1	120.7538	0.341	10	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.8830	0.040	2	119.8830	0.002	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CIrC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CIrC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7320	0.000	1	118.7320	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6783	0.842	3	119.2938	0.306	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1015	0.269	6	119.2938	0.306	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0394	0.803	24	119.0309	0.609	29	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4735	0.723	2	119.0309	0.609	29	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9360	0.000	1	119.0309	0.609	29	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.5340	0.750	2	119.0309	0.609	29	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CP[5]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CP[5]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.7300	0.000	1	120.7300	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	120.9505	0.361	2	120.9505	0.131	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2795	0.647	4	118.2795	0.419	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2268	0.581	6	119.1421	0.299	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0573	0.550	6	119.1421	0.299	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0600	0.062	2	120.0600	0.004	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.8545	0.093	2	117.8545	0.009	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2502	0.360	4	118.7957	0.362	75	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9788	0.555	8	118.7957	0.362	75	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1165	0.287	13	118.7957	0.362	75	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1757	0.555	12	118.7957	0.362	75	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7900	0.000	1	118.7957	0.362	75	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4712	0.573	37	118.7957	0.362	75	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6630	0.000	1	119.8345	0.059	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0060	0.000	1	119.8345	0.059	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6385	0.252	2	118.6385	0.064	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2815	0.247	2	119.2815	0.061	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7890	0.000	1	118.7890	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0990	0.326	3	118.8119	0.467	52	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.6580	0.000	1	118.8119	0.467	52	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8640	0.000	1	118.8119	0.467	52	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2883	0.338	4	118.8119	0.467	52	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3140	0.069	2	118.8119	0.467	52	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	117.8750	0.000	1	118.8119	0.467	52	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9263	0.623	26	118.8119	0.467	52	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5583	0.316	3	118.8119	0.467	52	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3480	0.410	3	118.8119	0.467	52	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2428	0.356	8	118.8119	0.467	52	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.3635	0.260	2	121.2335	0.045	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.1035	0.029	2	121.2335	0.045	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6572	0.774	26	118.5801	0.521	32	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2458	0.257	6	118.5801	0.521	32	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8480	1.105	21	118.6493	0.848	38	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4382	0.595	15	118.6493	0.848	38	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.1450	0.028	2	118.6493	0.848	38	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.0860	0.068	2	118.4198	1.052	31	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7430	0.277	6	118.4198	1.052	31	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2953	1.245	20	118.4198	1.052	31	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8267	0.193	3	118.4198	1.052	31	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.1730	0.000	1	120.1185	0.500	31	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.3135	0.535	6	120.1185	0.500	31	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7300	0.000	1	120.1185	0.500	31	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.2675	0.499	11	120.1185	0.500	31	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.7950	1.005	10	120.1185	0.500	31	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.4980	0.171	2	120.1185	0.500	31	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7670	0.000	1	119.7670	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Mo<8>,1|C<3>,2|N<3>}	118.5060	0.923	2	118.5060	0.853	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7400	0.911	3	119.0177	0.343	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1565	0.384	6	119.0177	0.343	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4525	0.023	2	118.5457	0.026	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7320	0.000	1	118.5457	0.026	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Nd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Nd<16>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Nd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8830	0.093	2	118.8830	0.009	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.0830	0.059	2	121.0830	0.004	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6180	0.000	1	118.6587	0.307	74	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5485	0.829	11	118.6587	0.307	74	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3393	0.399	7	118.6587	0.307	74	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4297	0.438	10	118.6587	0.307	74	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6220	0.000	1	118.6587	0.307	74	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8352	0.315	21	118.6587	0.307	74	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4460	0.489	23	118.6587	0.307	74	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0650	0.000	1	119.2510	0.167	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.3440	0.530	2	119.2510	0.167	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[5a]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[5a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4260	0.280	2	120.4260	0.078	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9565	0.023	2	119.1705	0.065	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3845	0.101	2	119.1705	0.065	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9080	0.000	1	118.9080	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7140	0.000	1	119.0620	0.302	29	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4295	0.414	2	119.0620	0.302	29	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	119.3585	1.155	2	119.0620	0.302	29	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1045	0.502	24	119.0620	0.302	29	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8167	0.100	4	118.8167	0.010	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]P)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2453	0.525	3	120.2453	0.275	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4125	0.390	11	118.6602	1.026	151	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.8950	0.522	6	118.6602	1.026	151	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.7590	0.000	1	118.6602	1.026	151	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	118.1422	0.394	5	118.6602	1.026	151	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5510	0.363	2	118.6602	1.026	151	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4547	0.677	7	118.6602	1.026	151	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	119.3335	0.211	6	118.6602	1.026	151	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3757	0.476	10	118.6602	1.026	151	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<2>,1|N<3>}	118.7990	0.000	1	118.6602	1.026	151	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.6490	0.909	3	118.6602	1.026	151	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5553	1.136	86	118.6602	1.026	151	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6743	0.845	13	118.6602	1.026	151	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.0715	0.433	2	120.4477	0.581	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.8240	0.008	2	120.4477	0.581	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0630	0.330	10	118.6186	2.959	18	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.0630	2.532	8	118.6186	2.959	18	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0172	0.516	12	118.7239	0.229	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5247	0.392	31	118.7239	0.229	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6273	0.339	3	118.7239	0.229	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9396	0.556	26	118.7239	0.229	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5909	0.278	20	118.7239	0.229	92	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7260	0.000	1	119.7260	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7545	0.071	2	118.3131	0.190	110	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.1120	0.328	2	118.3131	0.190	110	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.7053	0.729	3	118.3131	0.190	110	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.0828	0.545	4	118.3131	0.190	110	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5120	0.000	1	118.3131	0.190	110	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2933	0.388	98	118.3131	0.190	110	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.3798	0.465	5	119.3798	0.216	5	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.9745	0.262	2	120.1456	1.563	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7230	0.000	1	120.1456	1.563	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2570	0.693	3	120.1456	1.563	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.5760	0.000	1	120.1456	1.563	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1950	0.320	2	118.1950	0.102	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0310	0.069	2	119.0310	0.005	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2590	0.000	1	119.2590	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8060	0.000	1	119.8060	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(COO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<3>,1|N<3>}	118.6620	0.000	1	118.5203	0.056	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4495	0.288	2	118.5203	0.056	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pb)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pb<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pb)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9710	0.081	2	118.9710	0.006	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pb)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pb<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pb)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7390	0.000	1	119.7390	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.3526	0.970	7	121.3526	0.942	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2136	0.839	10	118.9333	0.835	23	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7178	0.942	13	118.9333	0.835	23	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4404	0.661	5	118.5323	0.255	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.2995	0.128	2	118.5323	0.255	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7120	0.490	4	118.5323	0.255	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7390	0.000	1	118.5323	0.255	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[5a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4880	0.000	1	120.4880	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[5a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[5a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4360	0.000	1	120.4360	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2260	0.082	2	119.2260	0.007	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1599	0.600	12	119.1599	0.360	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2700	0.160	2	119.2700	0.026	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.1620	0.752	2	118.9311	0.212	16	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8903	0.469	12	118.9311	0.212	16	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1280	0.000	1	118.9311	0.212	16	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7620	0.000	1	118.9311	0.212	16	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.3830	1.650	5	120.3830	2.722	5	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2764	0.577	19	118.7481	0.459	58	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4907	0.568	39	118.7481	0.459	58	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2045	1.171	4	119.2549	0.953	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2801	0.952	8	119.2549	0.953	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.8270	0.000	2	118.8270	0.000	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.8310	0.000	1	119.0777	0.535	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6530	0.069	2	119.0777	0.535	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2525	0.115	2	119.0777	0.535	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8240	0.000	1	119.0777	0.535	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.2618	1.477	8	121.2618	2.181	8	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8673	0.543	3	118.8673	0.294	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0220	0.000	1	119.0220	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[5a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[5a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5870	0.000	1	118.5870	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2021	1.581	14	119.2629	2.200	16	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6890	0.280	2	119.2629	2.200	16	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3874	0.445	7	119.1811	0.332	14	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2120	0.000	1	119.1811	0.332	14	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7685	0.387	6	119.1811	0.332	14	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.9470	0.717	2	120.9470	0.514	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8145	0.153	2	118.8145	0.024	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9945	0.803	6	119.9945	0.645	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6980	0.000	1	119.6980	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2516	1.978	22	119.2516	3.913	22	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3501	0.889	15	119.0936	1.022	25	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.3865	1.176	6	119.0936	1.022	25	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1925	0.920	4	119.0936	1.022	25	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CTeC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CTeC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4845	0.011	2	119.4845	0.000	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.0180	0.000	1	120.0180	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0936	0.340	7	119.4201	0.693	17	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.6487	1.006	10	119.4201	0.693	17	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3370	1.426	2	119.3370	2.032	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.9660	0.000	1	120.9660	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.6000	0.000	1	119.2683	0.691	26	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2550	0.845	25	119.2683	0.691	26	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.2020	0.000	1	121.2020	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7660	0.000	1	118.7660	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1129	0.342	7	119.1129	0.117	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7900	0.000	1	118.7900	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7090	0.000	1	119.7090	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5790	0.619	2	120.0240	0.276	5	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2200	0.000	2	120.0240	0.276	5	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5220	0.000	1	120.0240	0.276	5	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1855	0.599	2	119.1100	0.316	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0345	0.753	2	119.1100	0.316	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.3470	1.031	2	120.3470	1.063	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.9080	0.908	2	120.9080	0.824	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.6805	0.248	2	119.6805	0.062	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1550	0.370	5	119.1533	0.258	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1490	0.998	2	119.1533	0.258	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1480	0.000	1	119.1480	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(COP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(COP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.9270	0.184	2	119.9270	0.034	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CRhC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CRhC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.5592	1.340	8	120.5592	1.795	8	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CB[5a]P)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CB[5a]P){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.8600	0.000	1	120.8600	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.2998	1.259	5	120.5166	0.870	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.9240	0.144	2	120.5166	0.870	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.6510	0.007	2	120.5166	0.870	9	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.1565	0.365	8	119.5005	0.424	20	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.0906	0.355	10	119.5005	0.424	20	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9255	0.456	2	119.5005	0.424	20	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9885	0.595	2	118.9885	0.354	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.0510	0.000	1	120.4797	0.361	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1940	0.482	2	120.4797	0.361	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[5]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[5]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	122.3920	0.000	1	122.3920	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3830	0.000	1	119.3830	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5670	0.000	1	119.5670	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3648	2.392	4	119.0993	2.076	10	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9223	0.457	6	119.0993	2.076	10	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.2300	0.000	1	120.9575	0.253	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	121.3490	0.000	1	120.9575	0.253	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.3690	0.000	1	120.9575	0.253	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	120.7395	0.436	2	120.9575	0.253	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	121.3180	0.000	1	120.9575	0.253	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1470	0.861	3	119.0172	0.492	19	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6440	0.383	2	119.0172	0.492	19	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2570	0.546	14	119.0172	0.492	19	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8963	0.603	3	119.4208	0.678	18	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2926	0.866	14	119.4208	0.678	18	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.7890	0.000	1	119.4208	0.678	18	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.1405	0.138	2	118.7878	0.659	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4080	0.669	2	118.7878	0.659	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7843	1.004	6	118.7878	0.659	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8255	0.366	2	118.7878	0.659	12	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sb)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sb<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sb)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0050	0.000	1	119.0050	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sb)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sb<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sb)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.5300	0.100	2	118.5300	0.010	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Se<1>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Se)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.0905	0.941	2	120.0905	0.886	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<12>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2357	0.064	4	119.2357	0.004	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2847	0.490	3	119.2847	0.240	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	116.9015	1.097	2	116.9015	1.203	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.3440	0.618	2	120.3440	0.382	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2512	0.380	4	119.2807	1.392	27	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.2078	0.448	4	119.2807	1.392	27	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	122.7905	2.044	2	119.2807	1.392	27	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1827	0.442	8	119.2807	1.392	27	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6332	0.369	9	119.2807	1.392	27	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.3120	0.226	2	119.3120	0.051	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.1395	0.712	2	119.1128	0.678	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.6095	0.367	2	119.1128	0.678	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6776	0.607	7	119.1128	0.678	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4237	0.330	4	118.3074	0.108	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.1523	0.311	3	118.3074	0.108	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sr)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sr<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sr)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.4900	0.589	3	118.4900	0.347	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<12>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1350	0.000	1	119.1350	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7746	0.561	5	120.7746	0.315	5	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	120.6825	0.291	2	120.7912	0.042	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7848	0.185	8	120.7912	0.042	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	121.0600	0.000	1	120.7912	0.042	11	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	119.2220	0.000	1	118.7680	0.691	56	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	117.9880	0.000	1	118.7680	0.691	56	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8524	0.712	7	118.7680	0.691	56	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.0138	0.904	5	118.7680	0.691	56	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0104	0.385	13	118.7680	0.691	56	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.6427	0.809	19	118.7680	0.691	56	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.8227	0.403	8	118.7680	0.691	56	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.9165	0.323	2	118.7680	0.691	56	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	121.0200	0.403	2	121.0200	0.162	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[3]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[3]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4750	0.000	1	119.4750	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]P)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1310	0.485	2	119.1310	0.235	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1620	0.223	3	119.0080	0.328	10	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9420	0.677	7	119.0080	0.328	10	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.9220	0.000	1	118.5984	0.837	155	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|O<2>}	117.2421	2.303	11	118.5984	0.837	155	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9391	0.674	25	118.5984	0.837	155	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.7130	0.000	1	118.5984	0.837	155	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3996	1.264	12	118.5984	0.837	155	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7924	0.269	22	118.5984	0.837	155	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9220	0.362	57	118.5984	0.837	155	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.1232	0.207	26	118.5984	0.837	155	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.7760	0.058	2	120.5540	0.328	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.4990	0.000	1	120.5540	0.328	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.4480	0.000	1	120.5540	0.328	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	121.0800	0.000	1	120.5540	0.328	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.7450	0.000	1	120.5540	0.328	6	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.8885	0.336	2	117.8092	0.047	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.7300	0.058	2	117.8092	0.047	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4540	0.000	1	118.8789	0.185	8	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1000	0.642	3	118.8789	0.185	8	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.8192	0.211	4	118.8789	0.185	8	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.1307	0.289	3	118.3436	2.837	5	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6630	3.292	2	118.3436	2.837	5	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CC[6a]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zr<13>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9820	0.000	1	119.9820	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Ca)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|H<1>,1|N<2>}	C[6](N[6]N[6]Ca)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	117.2850	0.461	2	117.2850	0.213	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|N<3>}	C[6](N[6]N[6]Co)(C[6]C[6]H)(CCN){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|N<3>}	117.8115	0.011	2	117.8115	0.000	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Co)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|N<3>}	C[6](N[6]N[6]Co)(C[6]C[6]H)(CHN){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|N<3>}	117.6558	0.244	4	117.6558	0.059	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|N<3>}	C[6](N[6]N[6]Co)(C[6]C[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|N<3>}	118.1250	0.571	2	118.1250	0.326	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|H<1>,1|N<2>}	C[6](N[6]N[6]Co)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	117.3570	0.000	1	117.3570	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Cu)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|N<3>}	C[6](N[6]N[6]Cu)(C[6]C[6]H)(CHN){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|N<3>}	117.8017	0.249	4	117.8017	0.062	4	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Cu)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	C[6](N[6]N[6]Cu)(C[6]C[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	117.4235	0.325	2	117.4235	0.105	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	C[6](N[6]N[6]Cu)(C[6]C[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|N<3>}	117.5800	0.400	2	117.5800	0.160	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Li)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|N<3>}	C[6](N[6]N[6]Li)(C[6]C[6]H)(COO){1|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|N<3>}	117.5553	0.233	3	117.5553	0.054	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Li)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|H<1>,1|N<2>}	C[6](N[6]N[6]Li)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	117.6460	0.000	1	117.6460	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Mg)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<6>,1|H<1>,1|N<2>}	C[6](N[6]N[6]Mg)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|N<3>}	116.8650	0.000	1	116.8650	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|N<3>}	C[6](N[6]N[6]Mn)(C[6]C[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|N<3>}	118.3020	0.776	7	118.3020	0.601	7	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Ni)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|N<2>}	C[6](N[6]N[6]Ni)(C[6]C[6]H)(CNN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|N<3>}	117.4830	0.416	3	117.4830	0.173	3	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|N<2>}	C[6](N[6]N[6]Ni)(C[6]C[6]H)(CNO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|N<3>}	117.0055	0.469	2	117.0055	0.220	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|N<2>,1|O<2>}	C[6](N[6]N[6]Ni)(C[6]C[6]H)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|N<3>}	118.5650	0.000	1	118.5650	0.000	1	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Pd)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|N<3>}	C[6](N[6]N[6]Pd)(C[6]C[6]H)(CHN){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|N<3>}	117.7335	0.243	2	117.7335	0.059	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]N[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|N<3>}	C[6](N[6]N[6]Zn)(C[6]C[6]H)(COO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|N<3>}	117.4935	0.170	2	117.4935	0.029	2	118.9049	0.910	3354	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H)	C[6](N[6]C[6,6]Rh)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6,6]H)(H){1|Rh<5>,1|C<4>,3|C<3>}	C[6](N[6]C[6,6]Rh)(C[6]C[6]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.3510	0.000	1	119.3510	0.000	1	119.3510	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ag<4>,4|C<3>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]2)(C[6]C[6]H){1|C<2>,1|H<1>,2|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.0240	0.000	1	119.0240	0.000	1	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Au)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Au<4>,4|C<3>}	C[6](N[6]C[6,6a]Au)(C[6]C[6]2)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	117.3110	0.000	1	117.3110	0.000	1	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<5>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.7110	0.000	1	118.7110	0.000	1	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<5>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	119.6620	0.000	1	119.6620	0.000	1	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]2)(C[6]C[6]H)(H){1|N<3>,4|C<3>}	120.1330	0.147	2	120.1330	0.022	2	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ir<6>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]N[6])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.3780	0.000	1	119.3780	0.000	1	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Pu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Pu<11>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pu)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	118.6130	0.719	4	118.6130	0.517	4	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Re<6>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,4|C<3>}	120.0943	0.359	6	120.0943	0.129	6	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ru<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	120.6500	0.000	1	120.1560	0.488	2	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Ru<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	119.6620	0.000	1	120.1560	0.488	2	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Zn<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	119.7450	0.000	1	119.5245	0.097	2	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Zn<5>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[6]H)(H){1|N<3>,3|C<3>}	119.3040	0.000	1	119.5245	0.097	2	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Zn<5>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(H){1|N<3>,4|C<3>}	119.0115	0.120	2	119.0115	0.014	2	119.4241	0.717	23	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ag<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7230	0.170	2	118.7230	0.029	2	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4497	0.491	4	118.4497	0.241	4	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.8490	0.000	1	118.5118	0.525	39	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5758	0.741	32	118.5118	0.525	39	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){1|B<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6875	0.678	2	118.5118	0.525	39	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(C[6]N[6]2){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.0775	0.600	4	118.5118	0.525	39	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3960	0.000	1	118.4451	0.388	22	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5930	0.000	1	118.4451	0.388	22	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4285	0.892	2	118.4451	0.388	22	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3958	0.099	4	118.4451	0.388	22	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.0325	1.174	4	118.4451	0.388	22	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6233	0.490	10	118.4451	0.388	22	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7770	0.051	2	118.6928	0.073	6	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<13>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4165	0.062	2	118.6928	0.073	6	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Eu<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8850	0.345	2	118.6928	0.073	6	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]2)(C[6]C[6]H){1|Fe<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	121.2760	0.000	1	121.2760	0.000	1	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]2)(C[6]C[6]H){1|Fe<6>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.9265	0.402	2	119.9265	0.162	2	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8045	0.344	2	118.6344	0.152	17	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4743	0.172	3	118.6344	0.152	17	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.2043	0.158	3	118.6344	0.152	17	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.7670	0.456	7	118.6344	0.152	17	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(C[6]N[6]2){1|B<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8850	0.146	2	118.6344	0.152	17	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8785	1.451	4	119.1672	1.172	8	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.4560	0.637	4	119.1672	1.172	8	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.2015	0.599	2	119.2015	0.359	2	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Li<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.5675	0.252	2	118.5675	0.064	2	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4740	0.642	6	118.8111	0.711	21	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8125	0.482	2	118.8111	0.711	21	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.1009	1.117	9	118.8111	0.711	21	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<8>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6642	0.379	4	118.8111	0.711	21	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8830	0.000	1	118.8830	0.000	1	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	117.6270	0.557	2	118.3282	0.333	31	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.8398	0.173	4	118.3282	0.333	31	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3025	0.561	25	118.3282	0.333	31	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]2)(C[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	120.4490	0.000	1	120.4490	0.000	1	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.6847	0.537	7	118.7549	0.349	12	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	118.7982	0.811	4	118.7549	0.349	12	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.0730	0.000	1	118.7549	0.349	12	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]2)(C[6]C[6]H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.3720	1.455	2	118.8723	1.810	3	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.8730	0.000	1	118.8723	1.810	3	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5750	0.000	1	119.3930	0.994	4	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(C[6]N[6]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3323	1.212	3	119.3930	0.994	4	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.3770	0.000	1	119.0893	1.339	10	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.5945	0.707	6	119.0893	1.339	10	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	117.9830	1.460	3	119.0893	1.339	10	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.1780	0.981	2	118.9832	0.208	18	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9589	0.407	16	118.9832	0.208	18	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sm<13>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.9400	0.467	2	118.9400	0.218	2	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ta<8>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Ta)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.0405	0.624	6	120.0405	0.389	6	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ti<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Ti)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.2825	0.441	2	120.2825	0.194	2	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	119.6290	0.000	1	118.7527	0.691	4	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(C[6]N[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(C[6]N[6]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|N<3>}	118.4607	0.724	3	118.7527	0.691	4	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zr<10>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Zr)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	120.4880	0.000	1	120.4880	0.000	1	118.7625	0.641	221	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(NC[6a]Pt)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]N)(H){1|Cu<4>,2|C<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(NC[6a]Pt){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|N<3>}	120.3910	0.000	1	120.3910	0.000	1	120.3910	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9180	1.167	8	118.9180	1.362	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NAlSi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(NAlSi){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Al<5>,3|N<3>}	119.2053	0.300	3	119.2053	0.090	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.7542	0.236	4	118.7542	0.055	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.0295	0.196	2	118.9125	0.037	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(NCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.7955	0.136	2	118.9125	0.037	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(NC[6a]Al)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(NC[6a]Al){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.8980	0.000	1	119.8980	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ca<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.5575	0.247	2	118.5575	0.061	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.5305	0.251	2	119.5305	0.063	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	119.1200	0.223	2	119.2788	0.052	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4375	0.074	2	119.2788	0.052	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.6510	0.487	4	119.6510	0.237	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.5210	0.339	2	118.5210	0.115	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NAlC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NAlC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.0855	0.224	6	120.0855	0.050	6	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.3160	0.375	3	119.3160	0.140	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4620	0.221	3	118.8309	0.394	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.4940	0.000	1	118.8309	0.394	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.3105	0.557	4	118.8309	0.394	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.5250	0.000	1	118.8309	0.394	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.7465	0.158	2	118.8309	0.394	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCN){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|N<4>,2|N<3>}	119.7290	0.000	1	119.7290	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.2537	1.198	4	118.2537	1.434	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]Co)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]Co){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.1430	0.432	134	120.1430	0.187	134	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.2503	0.574	3	119.0861	0.617	28	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.4650	1.028	2	119.0861	0.617	28	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1236	0.998	13	119.0861	0.617	28	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1123	0.484	10	119.0861	0.617	28	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]Pt)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]Pt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.6863	0.486	8	119.6863	0.237	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCoC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCoC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.8132	1.119	10	119.8132	1.253	10	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.2562	0.404	4	119.3807	0.093	9	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.3945	0.279	2	119.3807	0.093	9	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3730	0.000	1	119.3807	0.093	9	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.6195	0.059	2	119.3807	0.093	9	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.4455	0.164	4	118.5331	0.393	16	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.5705	0.759	11	118.5331	0.393	16	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.4710	0.000	1	118.5331	0.393	16	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NSiH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NSiH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.4520	0.000	1	119.4520	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1147	0.244	3	118.1147	0.059	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.9722	0.618	10	119.0728	0.278	20	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1735	0.427	10	119.0728	0.278	20	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]Cr)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]Cr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.0423	0.458	23	119.8991	0.238	35	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]Cr)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NC[6]Cr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.6246	0.439	12	119.8991	0.238	35	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NCrC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NCrC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.8620	0.272	2	119.8620	0.074	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	118.3580	0.000	1	118.2943	0.009	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.2625	0.107	2	118.2943	0.009	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.7680	0.622	2	119.1187	0.350	15	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.3592	0.518	10	119.1187	0.350	15	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.3290	0.059	2	119.1187	0.350	15	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9940	0.000	1	119.1187	0.350	15	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.2207	0.210	6	117.2207	0.044	6	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.2347	0.073	3	119.0532	1.311	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.2810	0.457	2	119.0532	1.311	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.2263	0.088	3	119.2263	0.008	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.5685	0.544	2	119.2899	0.167	45	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4182	0.526	12	119.2899	0.167	45	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.0830	0.301	16	119.2899	0.167	45	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3709	0.328	15	119.2899	0.167	45	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]Pd)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]Pd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.2436	0.387	8	120.2436	0.150	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]Pt)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]Pt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.9116	0.554	7	119.9116	0.307	7	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.8810	0.287	2	118.8810	0.082	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.0823	0.467	4	119.1807	0.155	6	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3775	0.073	2	119.1807	0.155	6	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9175	0.062	2	118.9175	0.004	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCoC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCoC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.0637	0.445	6	120.0637	0.198	6	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCrC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCrC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.2030	0.000	1	120.2030	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCuC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCuC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.5245	0.276	2	119.1424	0.565	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCuC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCuC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.9220	0.000	1	119.1424	0.565	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCuC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCuC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.3705	0.306	2	119.1424	0.565	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.1857	0.122	4	118.6261	0.217	9	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9784	0.273	5	118.6261	0.217	9	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.8130	0.049	2	117.8130	0.002	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.2130	0.000	1	118.3323	0.266	12	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.7800	0.431	4	118.3323	0.266	12	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.5220	0.140	7	118.3323	0.266	12	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.2070	0.273	3	118.4532	0.895	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.4755	0.223	2	118.4532	0.895	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	117.4710	0.000	1	118.4532	0.895	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	120.2970	0.000	1	118.4532	0.895	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.6612	0.240	4	118.4532	0.895	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.5400	0.016	2	118.4792	0.128	19	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3185	0.296	11	118.4792	0.128	19	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.0970	0.495	2	118.4792	0.128	19	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.5817	0.168	4	118.4792	0.128	19	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9838	0.840	16	118.9838	0.706	16	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]Cr)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]Cr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.8143	0.303	8	119.8143	0.092	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.3355	0.269	6	119.3355	0.073	6	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3274	0.289	5	119.1049	0.079	19	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.0254	0.240	14	119.1049	0.079	19	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.2515	0.015	2	117.9783	0.643	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.3338	0.798	4	117.9783	0.643	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NC[6a]N){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	116.9940	0.021	2	117.9783	0.643	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCoC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NCoC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.0870	0.097	3	120.0870	0.009	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NFeC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NFeC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.6045	0.810	2	119.4036	0.717	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NFeC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NFeC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.9363	0.204	3	119.4036	0.717	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	120.1440	0.000	1	119.9290	0.092	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.7140	0.000	1	119.9290	0.092	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.5910	0.386	5	117.5910	0.149	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.8705	0.346	6	118.4138	0.331	58	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.8978	0.127	6	118.4138	0.331	58	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.2997	0.258	6	118.4138	0.331	58	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9360	0.638	2	118.4138	0.331	58	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	118.9570	1.096	2	118.4138	0.331	58	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.2772	0.551	29	118.4138	0.331	58	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.8244	0.518	7	118.4138	0.331	58	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3580	0.772	6	119.3580	0.597	6	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4407	1.299	3	119.1815	1.394	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCH){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,2|N<3>}	118.4040	0.000	1	119.1815	1.394	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3310	0.000	1	119.3310	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1450	0.000	1	119.1450	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.0652	0.574	4	119.0652	0.329	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.8770	0.000	1	118.8770	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	119.7000	0.000	1	119.7000	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.5825	0.183	2	118.3900	0.128	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.0050	0.000	1	118.3900	0.128	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[5a]H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	117.9710	0.000	1	117.9710	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.6040	0.000	1	118.6040	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[6a]Zn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NC[6a]Zn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.8720	0.081	2	119.8720	0.006	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.0070	0.263	3	119.0070	0.069	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.0780	0.000	1	119.0780	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3170	0.474	4	118.1134	0.376	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<5>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(NSiH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Li<5>,3|N<3>}	117.2990	0.000	1	118.1134	0.376	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(NMgSi)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(NMgSi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.8720	0.000	1	120.8720	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.3010	0.000	1	118.3010	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]Cr)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]Cr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4910	0.209	4	119.4910	0.044	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.0422	0.696	12	119.0301	0.450	14	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9580	0.704	2	119.0301	0.450	14	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCoC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NCoC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.1023	0.182	3	120.1023	0.033	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NFeC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NFeC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.1303	0.042	3	120.1303	0.002	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.3650	0.000	1	119.3130	0.005	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,2|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.2610	0.000	1	119.3130	0.005	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3170	0.059	2	119.1942	0.053	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.0715	0.309	2	119.1942	0.053	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1440	0.000	1	118.3415	0.136	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4073	0.422	3	118.3415	0.136	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NMnN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(NMnN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.3360	0.000	1	117.3360	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.2257	0.340	10	118.2815	0.112	12	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.5605	0.054	2	118.2815	0.112	12	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1065	0.153	2	119.1065	0.024	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3255	0.118	4	118.3914	0.028	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.4573	0.201	4	118.3914	0.028	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NSiH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(NSiH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3095	0.310	2	119.3095	0.096	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|N<4>,2|N<3>}	118.4955	0.155	2	118.4523	0.018	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.3660	0.000	1	118.4523	0.018	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.5385	0.746	4	117.5385	0.556	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.4725	0.450	4	118.5926	0.551	17	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3761	0.544	7	118.5926	0.551	17	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.4860	1.007	4	118.5926	0.551	17	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.8040	0.187	2	118.5926	0.551	17	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]Co)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]Co){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.1575	1.576	2	120.1575	2.484	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9150	0.140	2	118.9711	0.114	14	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	119.0080	0.122	2	118.9711	0.114	14	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.9750	0.399	10	118.9711	0.114	14	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]Ni)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]Ni){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3600	0.254	4	119.6314	0.523	46	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]Ni)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]Ni){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.8265	0.487	4	119.6314	0.523	46	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]Ni)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]Ni){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	119.1262	0.182	4	119.6314	0.523	46	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]Ni)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6]Ni){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.6998	0.527	34	119.6314	0.523	46	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	119.1980	0.621	6	119.1980	0.386	6	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.2290	0.217	12	119.2290	0.047	12	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]Ni)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NC[6a]Ni){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	119.8632	0.595	4	119.8632	0.353	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCoC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCoC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.5647	0.198	3	120.5647	0.039	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCuP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NCuP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	119.1950	0.000	1	119.1950	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1220	0.000	1	119.7067	0.112	6	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.9060	0.000	1	119.7067	0.112	6	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.8030	0.217	4	119.7067	0.112	6	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.4447	0.501	12	118.4447	0.251	12	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	117.1870	0.240	2	118.5594	1.935	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3700	1.413	3	118.5594	1.935	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.5200	0.000	1	118.5594	1.935	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.2355	0.054	2	118.5594	1.935	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NNiC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NNiC){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|N<4>,2|N<3>}	120.2135	1.101	2	120.2135	1.212	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NBH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(NBH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.2447	0.376	3	119.2447	0.141	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NC[6a]Os)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(NC[6a]Os){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.2004	1.120	16	120.2004	1.255	16	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3275	0.019	2	119.3275	0.000	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	117.9273	1.345	3	119.4689	3.611	10	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.6250	0.728	5	119.4689	3.611	10	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	123.8530	0.000	1	119.4689	3.611	10	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<5>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,3|N<3>}	118.9290	0.000	1	119.4689	3.611	10	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.6200	0.168	2	117.6200	0.028	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.4030	0.494	2	119.5102	1.107	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.2850	0.000	1	119.5102	1.107	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]C){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	120.2300	0.313	2	119.5102	1.107	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1638	0.945	22	119.1638	0.894	22	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4710	0.170	2	119.4710	0.029	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.7703	0.801	4	120.7703	0.641	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4820	0.000	1	118.4820	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.0050	0.000	1	119.0050	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1346	0.473	5	118.1346	0.224	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3245	0.530	4	118.6733	0.193	13	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.6850	0.298	2	118.6733	0.193	13	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.8220	0.327	6	118.6733	0.193	13	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1530	0.000	1	118.6733	0.193	13	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NPdC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NPdC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3410	0.000	1	119.3410	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NPdN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NPdN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.9953	0.119	3	117.9953	0.014	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.2890	0.000	1	119.2890	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.8535	0.407	2	119.8535	0.165	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NCP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4140	0.000	1	119.4140	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3737	0.923	15	119.3737	0.853	15	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4746	0.643	16	119.5700	0.549	21	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.8756	1.021	5	119.5700	0.549	21	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.8510	0.000	1	120.6257	0.188	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]2){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	120.5507	0.499	3	120.6257	0.188	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]C){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	121.3190	0.792	2	121.3190	0.627	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NC[6a]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.7130	0.000	1	119.7130	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1892	1.223	6	119.4684	1.024	10	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	120.0037	0.451	3	119.4684	1.024	10	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.5380	0.000	1	119.4684	1.024	10	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.6625	0.585	2	118.6625	0.342	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.7870	0.000	1	118.2938	2.025	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.7960	1.245	3	118.2938	2.025	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.2803	0.716	3	119.2803	0.513	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NC[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NC[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4845	0.325	2	119.4845	0.105	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|Re<6>,1|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.5520	0.000	1	118.5520	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.3180	0.974	4	118.3180	0.949	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.1485	0.951	2	118.1485	0.905	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NReN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NReN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.9810	0.000	1	119.9810	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.5794	0.379	5	119.5794	0.143	5	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6]Co)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6]Co){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.5090	0.717	2	120.5090	0.514	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.1360	0.040	2	119.1360	0.002	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6]Rh)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6]Rh){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.2202	0.574	16	120.2573	0.304	18	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6]Rh)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6]Rh){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.5535	0.169	2	120.2573	0.304	18	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6a]C){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.6960	0.000	1	118.6960	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6a]Rh)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NC[6a]Rh){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.6665	0.192	2	120.6665	0.037	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	117.4910	0.000	1	118.4084	0.405	7	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.5613	0.538	6	118.4084	0.405	7	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.0975	0.814	2	119.0807	1.058	7	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.8850	0.000	1	119.0807	1.058	7	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.9165	1.295	2	119.0807	1.058	7	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.8260	1.025	2	119.0807	1.058	7	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[5a]H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|O<2>,2|N<3>}	118.6540	0.000	1	118.6540	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.0470	0.000	2	119.0470	0.000	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.6365	1.399	8	119.3515	1.110	15	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.1140	0.000	1	119.3515	1.110	15	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.0112	0.298	6	119.3515	1.110	15	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]Ru)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6]Ru){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.2287	2.410	9	119.2287	5.807	9	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.5550	0.000	1	119.5550	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a]Ru)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NC[6a]Ru){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.9875	0.745	27	119.9875	0.555	27	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.6405	0.303	2	119.5517	0.070	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.3740	0.000	1	119.5517	0.070	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.9870	0.413	2	118.5228	0.861	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|N<2>,2|N<3>}	118.3610	1.187	2	118.5228	0.861	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.2177	0.901	4	118.5228	0.861	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	120.3190	0.000	1	118.5228	0.861	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.0660	0.000	1	118.5228	0.861	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.7990	0.000	1	118.5228	0.861	11	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRuH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRuH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.5555	0.885	2	119.5555	0.783	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSi2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSi2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	121.2897	0.642	3	121.2897	0.412	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.2640	0.228	7	120.1567	0.139	21	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.0713	0.438	12	120.1567	0.139	21	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NSiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.2935	0.385	2	120.1567	0.139	21	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NC[6a]Sn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NC[6a]Sn){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.1355	0.180	2	118.1355	0.033	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Sn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.9045	0.804	2	117.9045	0.646	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ta<9>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ta)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ta<9>,3|N<3>}	119.1650	0.013	2	119.1650	0.000	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.2770	0.000	1	118.8535	0.446	20	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4570	0.383	2	118.8535	0.446	20	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.8021	0.692	16	118.8535	0.446	20	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.0460	0.000	1	118.8535	0.446	20	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[5]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.0315	0.043	2	118.0315	0.002	2	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]Cr)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]Cr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.2952	0.723	8	120.2952	0.523	8	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.0071	1.034	8	119.1251	0.631	14	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4160	0.332	2	119.1251	0.631	14	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	119.0580	0.154	2	119.1251	0.631	14	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.3735	0.407	2	119.1251	0.631	14	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6a]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4432	0.707	6	118.4432	0.500	6	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6a]Zn)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NC[6a]Zn){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.9680	0.000	1	119.9680	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCoC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCoC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.3910	0.796	4	120.3910	0.634	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Br<1>,1|Zn<4>,1|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.2040	0.000	1	120.2040	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	120.2100	0.000	1	120.2100	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.1590	0.192	2	119.3599	0.603	17	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.7152	0.613	10	119.3599	0.603	17	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.1340	0.705	3	119.3599	0.603	17	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.1235	0.821	2	119.3599	0.603	17	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4585	0.077	2	118.3165	0.261	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.1745	0.835	2	118.3165	0.261	4	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NNiC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NNiC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.2080	0.000	1	118.2080	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NZnC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NZnC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	120.0795	0.282	2	119.4133	1.371	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NZnC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NZnC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.0810	0.000	1	119.4133	1.371	3	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(NC[6a]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.9850	0.000	1	119.9850	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]N[6]Re)(C[6]C[6]H)(NCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<4>,1|N<2>}	C[6](N[6]N[6]Re)(C[6]C[6]H)(NCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){2|N<3>}	119.0080	0.000	1	119.0080	0.000	1	119.2794	0.901	1252	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Ca<10>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Ca<10>,1|O<3>,2|N<3>}	118.0710	0.000	1	117.6165	0.413	2	118.1458	1.259	16	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Ca<8>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|Ca<8>,1|O<3>,2|N<3>}	117.1620	0.000	1	117.6165	0.413	2	118.1458	1.259	16	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	117.3460	0.337	2	117.3460	0.113	2	118.1458	1.259	16	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NPdH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NPdH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	119.2995	1.100	2	119.2995	1.209	2	118.1458	1.259	16	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	117.8387	0.465	3	117.8387	0.216	3	118.1458	1.259	16	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NPtH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(NPtH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	118.8157	2.262	3	118.8157	5.118	3	118.1458	1.259	16	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Re<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(NCH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	118.3540	0.000	1	118.3540	0.000	1	118.1458	1.259	16	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|O<1>,2|N<3>}	117.7650	0.000	1	117.7650	0.000	1	118.1458	1.259	16	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|O<1>,2|N<3>}	117.8635	0.080	2	117.8635	0.006	2	118.1458	1.259	16	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHH){1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|S<2>,2|N<3>}	120.0550	0.000	1	120.0550	0.000	1	120.0550	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Cu<3>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[5]C[5]2){1|Cu<3>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.6340	0.508	4	118.2518	0.352	8	118.2661	0.831	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Cu<4>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[5]C[5]2){1|Cu<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.8470	0.668	2	118.2518	0.352	8	118.2661	0.831	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Cu<4>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.8920	0.267	2	118.2518	0.352	8	118.2661	0.831	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Pd<4>,4|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.8580	0.000	1	118.7835	1.713	2	118.2661	0.831	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Pd<4>,4|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(N[5]C[5]2){1|Pd<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.7090	0.000	1	118.7835	1.713	2	118.2661	0.831	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Rh<8>,4|C<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.0070	0.000	1	117.5625	0.395	2	118.2661	0.831	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Rh<8>,4|C<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.1180	0.000	1	117.5625	0.395	2	118.2661	0.831	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Ru<5>,4|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	119.6540	0.000	1	118.2138	1.864	5	118.2661	0.831	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Ru<6>,4|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	119.2810	0.000	1	118.2138	1.864	5	118.2661	0.831	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Ru<6>,4|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.3780	1.037	3	118.2138	1.864	5	118.2661	0.831	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]W)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|W<6>,4|C<3>}	C[6](N[6]C[6,6a]W)(C[6]C[6]H)(N[5]C[5]2){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>}	119.0140	0.000	1	119.0140	0.000	1	118.2661	0.831	18	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ba)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ba<7>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ba)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.4765	0.189	2	117.4765	0.036	2	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ca<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	116.7385	0.655	6	116.7385	0.429	6	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cr<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	115.8370	0.000	2	115.8370	0.000	2	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Cu<3>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(N[5]C[5]2){1|Cu<3>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.8140	0.000	1	117.8140	0.000	1	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.4130	0.000	1	117.6098	0.576	24	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.0210	1.076	4	117.6098	0.576	24	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.1605	0.151	4	117.6098	0.576	24	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.7470	0.369	7	117.6098	0.576	24	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.2832	0.543	8	117.6098	0.576	24	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.3440	0.000	1	117.1742	0.114	10	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	116.9390	0.000	1	117.1742	0.114	10	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.2460	0.000	1	117.1742	0.114	10	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	117.1273	0.147	3	117.1742	0.114	10	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|O<2>,2|N<3>}	117.0377	0.518	3	117.1742	0.114	10	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.7180	0.000	1	117.1742	0.114	10	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Li<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	115.4320	0.023	2	115.4320	0.001	2	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Mg<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.1700	0.130	2	117.1700	0.017	2	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.7187	0.133	3	117.7187	0.018	3	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	115.9610	0.000	1	115.9610	0.000	1	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Os<9>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.0740	0.000	1	118.0740	0.000	1	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,3|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.1560	0.000	1	118.1560	0.000	1	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	117.6460	0.000	1	117.6460	0.000	1	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3910	0.000	2	117.3603	0.824	18	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.4878	0.899	11	117.3603	0.824	18	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	116.9080	0.000	1	117.3603	0.824	18	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	116.6075	0.620	4	117.3603	0.824	18	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.3251	0.973	8	117.3251	0.947	8	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Rh<5>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.0420	0.511	2	117.6813	0.413	7	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.1090	0.410	3	117.6813	0.413	7	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.4470	0.000	1	117.6813	0.413	7	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.9110	0.000	1	117.6813	0.413	7	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	117.6593	0.217	4	117.6375	0.451	47	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.1065	1.049	11	117.6375	0.451	47	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.4396	0.457	26	117.6375	0.451	47	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.6030	0.000	1	117.6375	0.451	47	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.4520	0.367	3	117.6375	0.451	47	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.4110	0.000	1	117.6375	0.451	47	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3540	0.000	1	117.6375	0.451	47	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]C[6]Sr)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Sr<7>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Sr)(C[6]C[6]H)(N[5]C[5]2){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	117.3605	0.062	2	117.3605	0.004	2	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[6]N[6]Pd)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|N<2>,1|O<2>,2|C<3>}	C[6](N[6]N[6]Pd)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){2|N<3>}	116.8590	0.000	1	116.8590	0.000	1	117.4305	0.612	139	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]2)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]2)(H){1|Cd<5>,4|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.9440	0.000	1	118.0705	1.526	2	118.4600	1.218	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]2)(H)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]2)(H){1|Cd<6>,4|C<3>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(N[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.1970	0.000	1	118.0705	1.526	2	118.4600	1.218	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]2)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]2)(H){1|Cu<5>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(N[6]C[6]2){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	119.2390	0.000	1	119.2390	0.000	1	118.4600	1.218	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(PPP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(PPP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	119.7950	0.000	1	119.7950	0.000	1	119.7481	0.433	32	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	119.8697	0.317	12	119.8697	0.101	12	119.7481	0.433	32	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6a]2){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<3>}	119.2350	0.273	2	119.2350	0.074	2	119.7481	0.433	32	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(PC[6]N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(PC[6]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	119.0275	0.244	2	119.0275	0.060	2	119.7481	0.433	32	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(PC[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(PC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	118.3035	0.193	2	118.3035	0.037	2	119.7481	0.433	32	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(PC[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(PC[6]2){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<3>}	119.6017	0.142	3	119.6017	0.020	3	119.7481	0.433	32	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(PC[6a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(PC[6a]2){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<3>}	120.1480	0.000	1	120.1480	0.000	1	119.7481	0.433	32	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(PC[6]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(PC[6]2){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<3>}	119.5593	0.305	4	119.5593	0.093	4	119.7481	0.433	32	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(PC[6a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(PC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	119.8340	0.000	1	119.8340	0.000	1	119.7481	0.433	32	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PC[6a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PC[6a]2){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	120.9410	0.000	1	120.9410	0.000	1	119.7481	0.433	32	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PCl2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PCl2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	120.4850	0.000	1	120.4850	0.000	1	119.7481	0.433	32	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PN[5a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(PN[5a]2){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	121.0635	0.309	2	121.0635	0.095	2	119.7481	0.433	32	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(SCu2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(SCu2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	120.3050	0.000	1	120.3050	0.000	1	118.4739	1.181	14	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SMnMo)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SMnMo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	117.1310	0.000	1	117.1310	0.000	1	118.4739	1.181	14	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SMo2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SMo2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	117.9810	0.000	1	117.7170	0.139	2	118.4739	1.181	14	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SMo2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(SMo2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	117.4530	0.000	1	117.7170	0.139	2	118.4739	1.181	14	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(SNi2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(SNi2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	118.4008	1.022	4	118.4008	1.044	4	118.4739	1.181	14	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	117.7600	0.000	1	117.7600	0.000	1	118.4739	1.181	14	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(SC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	117.9550	0.707	2	117.9550	0.500	2	118.4739	1.181	14	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(SOs2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(SOs2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<3>}	119.7670	0.791	2	119.7670	0.625	2	118.4739	1.181	14	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SRh2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(SRh2){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,1|O<2>,1|S<3>}	118.9580	0.000	1	118.9580	0.000	1	118.4739	1.181	14	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H)	C[6](N[6]C[5,6]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H){1|Ir<6>,1|C<4>,3|C<3>}	C[6](N[6]C[5,6]Ir)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[5,6]C[5,5]C[5,6])(C[6]C[6]H)(H){1|N<3>,5|C<3>}	121.8840	0.000	1	121.8840	0.000	1	122.3452	0.328	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H)	C[6](N[6]C[5,6]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H){1|Pt<4>,1|C<4>,3|C<3>}	C[6](N[6]C[5,6]Pt)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	122.0350	0.143	2	122.4605	0.348	4	122.3452	0.328	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H)	C[6](N[6]C[5,6]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H){1|Pt<4>,4|C<3>}	C[6](N[6]C[5,6]Pt)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	122.8860	0.547	2	122.4605	0.348	4	122.3452	0.328	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H)	C[6](N[6]C[6,6]Rh)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(H){1|Rh<5>,4|C<3>}	C[6](N[6]C[6,6]Rh)(C[6a]C[6a]2)(C[6]C[6]H){1|Cl<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){2|N<3>,3|C<3>}	121.4580	0.000	1	121.4580	0.000	1	121.4580	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]Cl)(C[6]C[6a]N[6])(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl)	C[6](C[6]C[6,6a]Cl)(C[6]C[6a]N[6])(H){1|Ir<8>,4|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){1|Cl<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(Cl){1|H<1>,1|N<3>,3|C<3>}	119.3970	0.000	1	119.3970	0.000	1	119.3970	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Ag)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Ag<4>,4|C<3>}	C[6](N[6]C[6,6a]Ag)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.5930	0.000	1	119.5930	0.000	1	120.3718	0.485	46	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Co)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Co<4>,4|C<3>}	C[6](N[6]C[6,6a]Co)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.6865	0.499	2	121.6865	0.249	2	120.3718	0.485	46	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Cu<3>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.9042	0.539	4	120.0547	0.258	25	120.3718	0.485	46	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.0443	0.375	4	120.0547	0.258	25	120.3718	0.485	46	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.0138	0.397	14	120.0547	0.258	25	120.3718	0.485	46	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	119.8550	0.202	2	120.0547	0.258	25	120.3718	0.485	46	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Cu<4>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.6710	0.000	1	120.0547	0.258	25	120.3718	0.485	46	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Ir<6>,4|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){1|F<1>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.0210	0.000	1	120.0210	0.000	1	120.3718	0.485	46	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Ni)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Ni<3>,4|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.0092	0.298	8	121.0092	0.089	8	120.3718	0.485	46	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Pt<4>,4|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	121.0067	0.979	3	121.0067	0.957	3	120.3718	0.485	46	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Zn<5>,4|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.6200	0.465	2	120.2758	0.325	6	120.3718	0.485	46	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(H){1|Zn<5>,4|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6a]C[6a]2)(C[6]C[6]H){1|O<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.1038	0.593	4	120.2758	0.325	6	120.3718	0.485	46	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](N[6]B[5a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](N[6]B[5a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,2|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<3>}	119.7870	0.212	2	119.7870	0.045	2	119.7870	0.045	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Cd)(N[5]C[5]N[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Cd<5>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cd)(N[5]C[5]N[5])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.4723	0.156	3	117.9856	0.846	7	117.7313	0.744	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Cd)(N[5]C[5]N[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Cd<6>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cd)(N[5]C[5]N[5])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.5115	0.643	2	117.9856	0.846	7	117.7313	0.744	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Cd)(N[5]C[5]N[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Cd<6>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cd)(N[5]C[5]N[5])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.7295	0.441	2	117.9856	0.846	7	117.7313	0.744	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Cu)(N[5]C[5]N[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Cu<3>,1|N<2>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(N[5]C[5]N[5])(C[6]C[6]H){1|Cu<3>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.7690	0.000	1	118.0733	0.140	3	117.7313	0.744	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Cu)(N[5]C[5]N[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Cu<6>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(N[5]C[5]N[5])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.2255	0.377	2	118.0733	0.140	3	117.7313	0.744	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Zn)(N[5]C[5]N[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Zn<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(N[5]C[5]N[5])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	117.0330	0.000	1	116.7960	0.072	3	117.7313	0.744	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H)	C[6](N[6]C[6,6a]Zn)(N[5]C[5]N[5])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5]N[6])(H){1|Zn<6>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(N[5]C[5]N[5])(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.6775	0.245	2	116.7960	0.072	3	117.7313	0.744	13	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Re<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|C<4>,3|H<1>,3|N<3>}	C[6](C[6]C[6]H)2(H){3|N<3>}	118.3355	0.554	2	118.3355	0.307	2	118.3301	0.171	9	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Ru<6>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6,6]C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|N<3>}	118.8145	0.006	2	118.8145	0.000	2	118.3301	0.171	9	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](N[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	118.3510	0.136	3	118.3510	0.019	3	118.3301	0.171	9	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(H)	C[6](N[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	117.8090	0.102	2	117.8090	0.010	2	118.3301	0.171	9	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]N[6a]N[6])(C[6]C[6,6a]H)(H)	C[6](N[6]C[6,6a]Cd)(N[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6a]N[6])(C[6]C[6,6a]H)(H){1|Cd<6>,4|C<3>}	C[6](N[6]C[6,6a]Cd)(N[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	118.7950	0.000	1	118.7950	0.000	1	118.7950	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|B<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|N<3>}	118.0512	0.124	12	118.0512	0.015	12	118.0512	0.015	12	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6a]C[6])(C[6]N[6]H)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.2968	0.835	10	118.2968	0.697	10	118.2968	0.697	10	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.8500	0.000	1	120.4407	0.266	3	120.4407	0.266	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](N[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	120.7360	0.098	2	120.4407	0.266	3	120.4407	0.266	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H)	C[6](N[6a]C[6a,6a]B[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6a]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|B<3>,1|H<1>,2|C<3>}	C[6](N[6a]C[6a,6a]B[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|N<3>}	119.8450	0.283	2	119.8450	0.080	2	119.8450	0.080	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	O[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]O[6]C)(H)	C[6](O[6]C[6]Ca)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)(C[6]O[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	C[6](O[6]C[6]Ca)(C[6]C[6]H)(COO){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)2(O){1|O<3>,2|C<3>}	120.1465	0.135	2	120.1465	0.018	2	120.1465	0.018	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](PC[6a]C[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](PC[6a]C[6])(C[6]C[6]H)(N[6]C[6]W){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<3>}	119.8260	0.211	2	119.8260	0.044	2	119.8260	0.044	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[4]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]C[6])(C[6]C[6]H)(O)	C[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]O){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	120.6945	0.172	2	120.6945	0.030	2	120.6945	0.030	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CCO)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	123.2630	0.000	1	123.2630	0.000	1	123.2630	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(O){1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H){1|N<2>,4|C<3>}	120.8230	0.000	1	120.8230	0.000	1	120.8230	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(O)	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6]N[5])(C[6a]C[6a]2)(C[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	115.8157	0.416	3	115.8157	0.173	3	116.0492	0.293	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|S<2>}	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	116.8560	0.000	1	116.8560	0.000	1	116.0492	0.293	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|S<2>}	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){3|C<3>}	115.9430	0.000	1	115.9430	0.000	1	116.0492	0.293	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5a,6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(O)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH)	C[6](C[6]C[5a,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(CCH){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	117.0215	0.125	2	117.0215	0.016	2	117.0215	0.016	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	118.6240	0.000	1	118.6240	0.000	1	121.1710	12.974	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	123.7180	0.000	1	123.7180	0.000	1	121.1710	12.974	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6,6])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6,6])(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6,6]C[3x6]2)(C[6]C[6]O){3|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	114.3750	0.000	1	114.3750	0.000	1	114.3750	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(CCH)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[5a,6a]C[6,6a])(C[6]C[6]O)(CCH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	115.4620	0.000	1	115.4620	0.000	1	117.8643	0.764	67	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]2)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]2){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	115.6910	0.000	1	115.6910	0.000	1	117.8643	0.764	67	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	117.9802	0.628	62	117.9802	0.394	62	117.8643	0.764	67	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(CCN)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6,6a]C[6,6a]O[6a])(C[6]C[6]O)(CCN){1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	119.8990	0.000	1	119.8990	0.000	1	117.8643	0.764	67	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]O)(CCH){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	115.5415	0.286	2	115.5415	0.082	2	117.8643	0.764	67	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O){3|C<3>}	119.2195	0.255	2	119.2195	0.065	2	119.2195	0.065	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]2)(C[6]C[6]O){2|H<1>,7|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	114.8970	0.000	1	114.8970	0.000	1	119.4654	11.957	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	120.6075	2.692	4	120.6075	7.247	4	119.4654	11.957	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|O<2>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){3|C<3>}	118.5006	0.815	5	118.5006	0.664	5	118.5006	0.664	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(O)	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(O){1|O<1>,2|C<3>,2|S<2>}	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	118.8380	0.000	1	118.8380	0.000	1	118.8380	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCN)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCN){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|C<4>,4|C<3>}	119.8957	0.120	3	119.8957	0.014	3	120.8942	1.936	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCO)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|C<4>,4|C<3>}	122.3920	0.488	2	122.3920	0.238	2	120.8942	1.936	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|C<4>,2|C<3>}	113.8795	0.186	2	114.7471	0.739	8	114.5912	0.705	10	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Br<1>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	115.0363	0.791	6	114.7471	0.739	8	114.5912	0.705	10	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	113.6540	0.000	1	113.6540	0.000	1	114.5912	0.705	10	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,2|C<3>}	114.2810	0.000	1	114.2810	0.000	1	114.5912	0.705	10	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|O<1>,2|C<3>}	117.7700	0.000	1	117.7700	0.000	1	115.2607	1.601	7	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Cl){1|Cl<1>,2|C<3>}	114.8425	0.672	6	114.8425	0.452	6	115.2607	1.601	7	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]C)(C[6]C[6]F)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(F){1|H<1>,2|C<3>}	115.1240	0.000	1	115.1240	0.000	1	115.1240	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	121.1310	0.000	1	121.1310	0.000	1	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Cl<1>,2|C<3>}	118.2505	0.112	2	118.2505	0.013	2	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	117.1810	0.000	1	117.2020	0.144	3	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,2|C<3>}	117.2125	0.537	2	117.2020	0.144	3	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	118.0845	0.035	2	118.0845	0.001	2	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,2|C<3>}	120.0360	0.000	1	120.0360	0.000	1	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]C)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,2|C<3>}	121.2600	0.000	1	121.2600	0.000	1	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]N)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	117.8220	0.656	2	117.8220	0.431	2	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,2|C<3>}	116.1796	0.862	7	116.5946	0.590	66	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	116.3146	0.373	5	116.5946	0.590	66	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<2>,2|C<3>}	116.8060	0.341	3	116.5946	0.590	66	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	116.3929	0.804	24	116.5946	0.590	66	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	117.0770	0.124	2	116.5946	0.590	66	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	116.8767	0.726	19	116.5946	0.590	66	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,2|C<3>}	117.1364	0.755	5	116.5946	0.590	66	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){3|C<3>}	116.0700	0.000	1	116.5946	0.590	66	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	117.2040	0.000	1	118.0504	0.567	5	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	118.2620	0.677	4	118.0504	0.567	5	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	117.5947	0.722	16	117.5947	0.522	16	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	117.2710	0.151	2	116.9059	0.711	9	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	116.8016	0.942	7	116.9059	0.711	9	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|I<1>,2|C<3>}	119.3350	0.000	1	119.6800	0.238	2	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	120.0250	0.000	1	119.6800	0.238	2	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN)	C[6](C[6]C[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]C)(H){2|C<3>}	117.1307	0.726	12	117.1307	0.526	12	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	C[6](C[6]C[6]O)2(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	118.0200	0.000	1	118.0200	0.000	1	117.1094	1.217	123	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|H<1>,2|C<3>}	120.3090	0.000	1	120.3090	0.000	1	119.2783	0.884	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CC[6]O)	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CC[6]O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(O){1|O<2>,2|C<3>}	118.7630	0.419	2	118.7630	0.175	2	119.2783	0.884	3	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	117.5120	0.000	1	117.5120	0.000	1	119.2318	8.063	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]2)2(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)2(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	121.6410	0.146	2	121.6410	0.021	2	119.2318	8.063	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(C[6]N[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(C[6]N[6]2){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	116.1330	0.000	1	116.1330	0.000	1	119.2318	8.063	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]N)(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]N)(O){1|C<3>,1|F<1>,1|N<2>}	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(F){1|C<3>,1|N<3>,1|O<1>}	117.7630	0.000	1	117.7630	0.000	1	117.7630	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	117.4590	0.379	4	117.4590	0.143	4	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	118.3870	0.684	2	118.3870	0.469	2	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	117.9607	0.479	3	117.9607	0.229	3	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,1|N<3>}	118.7310	0.000	1	118.7310	0.000	1	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	118.0295	0.503	2	118.0295	0.253	2	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|N<2>,1|N<3>}	117.4470	0.113	2	117.4731	0.376	34	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	117.5272	0.430	24	117.4731	0.376	34	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	117.3174	1.060	8	117.4731	0.376	34	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	117.7030	0.156	2	117.7030	0.024	2	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	117.0190	0.000	1	117.0190	0.000	1	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	118.3460	0.281	2	118.3460	0.079	2	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	118.6510	0.000	1	118.1337	0.209	3	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	117.8750	0.126	2	118.1337	0.209	3	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<3>}	118.3851	0.977	8	118.3851	0.954	8	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	117.8750	0.000	1	117.8750	0.000	1	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|N<3>}	113.9840	0.422	17	113.9840	0.178	17	116.9446	2.825	80	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	114.0020	0.000	1	114.0020	0.000	1	116.1865	9.544	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	118.3710	0.000	1	118.3710	0.000	1	116.1865	9.544	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(O){2|Cl<1>,1|C<3>,2|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|N<3>,1|O<1>}	118.5110	0.000	1	118.5110	0.000	1	118.5110	0.000	1	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){1|Cl<1>,1|C<3>,1|S<3>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<3>}	116.1522	0.246	4	116.5232	0.733	5	116.5232	0.733	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){1|Cl<1>,1|C<3>,1|S<3>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<2>,1|S<3>}	118.0070	0.000	1	116.5232	0.733	5	116.5232	0.733	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|S<3>}	115.6755	0.019	2	115.6755	0.000	2	115.9890	0.145	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|S<3>}	116.3025	0.203	2	116.3025	0.041	2	115.9890	0.145	4	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(O)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(O){5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	118.0900	0.527	5	118.0900	0.278	5	118.0900	0.278	5	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	118.8750	0.618	2	118.8750	0.382	2	118.0508	1.123	10	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	118.3540	0.000	1	118.3540	0.000	1	118.0508	1.123	10	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	115.4120	0.000	1	117.6615	1.443	6	118.0508	1.123	10	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	117.6040	0.178	2	117.6615	1.443	6	118.0508	1.123	10	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	118.4497	0.354	3	117.6615	1.443	6	118.0508	1.123	10	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]O)2(H){1|O<1>,2|C<3>}	118.4350	0.000	1	118.4350	0.000	1	118.0508	1.123	10	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	N[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](N[5]C[5]N[5])(C[6]C[6]Ru)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O){1|Ru<6>,2|C<3>,2|N<3>}	C[6](N[5]C[5]N[5])(C[6]C[6]Ru)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	116.1885	0.226	2	116.1885	0.051	2	116.1885	0.051	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	114.3730	0.000	1	114.3730	0.000	1	115.6740	3.385	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	116.9750	0.000	1	116.9750	0.000	1	115.6740	3.385	2	119.3656	1.411	21741	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(H)	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|S<2>}	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(OH){1|H<1>,2|C<3>}	119.7840	0.000	1	119.7840	0.000	1	119.7840	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H)	C[6](C[5]C[5,6]N[5])(C[6]C[6]H)2	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5]C[5,6]N[5])(C[6]C[6]H)2{1|O<2>,3|C<3>,4|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	124.2910	0.813	2	124.2910	0.661	2	124.2910	0.661	2	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<4>,2|C<3>}	119.3630	0.000	1	119.3630	0.000	1	119.3630	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|H<1>,2|C<3>}	121.2633	0.383	3	120.6142	0.536	8	120.6142	0.536	8	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)2(NN){1|O<2>,2|C<3>}	120.2248	0.599	5	120.6142	0.536	8	120.6142	0.536	8	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Br<1>,2|C<3>}	121.6120	0.000	1	121.6120	0.000	1	120.2978	0.917	6	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OH){1|H<1>,2|C<3>}	120.4270	0.233	2	120.4270	0.054	2	120.2978	0.917	6	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|H<1>,2|C<3>}	120.3320	0.279	2	119.7737	0.974	3	120.2978	0.917	6	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Cd<6>,2|C<3>}	118.6570	0.000	1	119.7737	0.974	3	120.2978	0.917	6	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC){1|H<1>,4|C<3>}	124.0485	0.524	4	124.0485	0.275	4	123.9693	0.214	6	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6])	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(OC[6]){1|H<1>,4|C<3>}	123.8110	0.412	2	123.8110	0.169	2	123.9693	0.214	6	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC)	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	119.4155	0.272	2	119.4155	0.074	2	120.1047	1.730	4	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a])	C[6](C[6]C[6]N)2(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	122.0620	0.000	1	122.0620	0.000	1	120.1047	1.730	4	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NNiC)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC)	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NNiC){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	119.5260	0.000	1	119.5260	0.000	1	120.1047	1.730	4	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]H)(N[6]C[6]O)(NC)	C[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	120.0550	0.000	1	120.0550	0.000	1	120.0550	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(OC[6a])	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	119.1430	0.342	3	119.1430	0.117	3	119.5962	0.239	13	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	119.7321	0.451	10	119.7321	0.203	10	119.5962	0.239	13	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	118.6540	2.015	2	118.6540	4.061	2	119.0552	0.707	18	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|C<3>}	119.8825	0.360	4	119.8825	0.129	4	119.0552	0.707	18	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	118.8836	0.278	5	118.8836	0.077	5	119.0552	0.707	18	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	120.5110	0.000	1	120.5110	0.000	1	119.0552	0.707	18	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<2>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|C<3>}	118.5377	0.255	6	118.5377	0.065	6	119.0552	0.707	18	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(NN){1|C<3>,1|H<1>,1|N<3>}	119.7945	0.624	2	119.7945	0.390	2	119.7945	0.390	2	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	117.9643	0.507	4	118.1195	0.454	38	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	118.1676	0.689	32	118.1195	0.454	38	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	117.6595	0.866	2	118.1195	0.454	38	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	119.1460	0.468	2	119.1012	0.087	4	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	119.0565	0.186	2	119.1012	0.087	4	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.8120	0.465	4	118.2866	0.694	8	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	117.7613	0.817	4	118.2866	0.694	8	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	119.0405	0.582	2	119.0405	0.339	2	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	117.9863	0.485	3	117.9863	0.235	3	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	119.0957	0.256	4	118.9723	0.092	6	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.7255	0.285	2	118.9723	0.092	6	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	119.1940	0.117	2	119.1940	0.014	2	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	118.0177	0.971	4	118.0177	0.943	4	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	119.1585	0.286	2	119.1585	0.082	2	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.3605	1.347	22	118.3605	1.815	22	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	118.4134	0.290	8	118.4134	0.084	8	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	118.5428	1.075	6	118.9013	1.060	10	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	119.4390	0.782	4	118.9013	1.060	10	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	119.5089	0.655	12	119.5089	0.429	12	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	119.2877	0.634	3	119.2877	0.401	3	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.9215	0.190	2	118.9215	0.036	2	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.6588	0.202	5	118.8309	0.261	14	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	118.9264	0.613	9	118.8309	0.261	14	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	118.8820	0.000	1	119.1687	0.073	3	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	119.3120	0.150	2	119.1687	0.073	3	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	118.1373	0.461	6	118.6492	0.529	12	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	119.1610	0.569	6	118.6492	0.529	12	118.5863	0.783	155	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(SC){1|C<3>,1|H<1>,1|N<3>}	120.4660	0.000	1	120.4660	0.000	1	120.4660	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-2:	C[6](C[6]N[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH)	C[6](C[6]N[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|N<2>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH){3|N<3>}	118.6660	0.000	1	118.6660	0.000	1	118.6660	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6,6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]C[6a])(C[6]C[6]O)(H)	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6,6]C[6,6]C[6])(C[6]C[6]H){1|O<2>,3|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|C<4>,2|C<3>}	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6]H)(C[6]N[6]N)(CN)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CN){3|C<3>}	123.9380	0.000	1	123.9380	0.000	1	123.9380	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(OC){2|C<3>}	120.0020	0.000	1	120.0020	0.000	1	120.0020	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H){1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]C[6]){2|H<1>,5|C<3>}	120.9195	0.291	2	120.9195	0.084	2	120.9195	0.084	2	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6a]N[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6a]N[6])2(H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){2|H<1>,2|N<3>,3|C<3>}	119.1230	0.000	1	119.1230	0.000	1	119.1230	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	120.3330	0.000	1	120.3330	0.000	1	120.3330	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|Cr<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6,6a]C[6a])(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	119.6215	0.261	2	119.6215	0.068	2	119.7944	0.388	13	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	119.9750	0.066	2	120.0025	0.426	8	119.7944	0.388	13	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	120.0117	0.771	6	120.0025	0.426	8	119.7944	0.388	13	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	119.9880	0.000	1	119.9880	0.000	1	119.7944	0.388	13	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	119.0380	0.124	2	119.0380	0.015	2	119.7944	0.388	13	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6a]N[6])2(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6a]N[6])2(H){1|Ir<6>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|N<3>,3|C<3>,3|H<1>}	120.0500	0.219	2	120.0500	0.048	2	120.0500	0.048	2	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Co)(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(CC){3|N<3>}	116.8150	0.069	2	116.8150	0.005	2	117.0620	0.469	17	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(CC){3|N<3>}	117.0949	0.667	11	117.0949	0.445	11	117.0620	0.469	17	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<2>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(CN){3|N<3>}	117.0950	0.986	4	117.0950	0.972	4	117.0620	0.469	17	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|H<1>,2|N<3>}	117.2050	0.000	1	117.2050	0.000	1	117.2050	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-2:	C[6](C[6]N[5]N[6])(C[6]C[6]S)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(SC)	C[6](C[6]N[5]N[6])(C[6]C[6]S)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]H)2(SC){3|N<3>}	117.1379	0.338	30	117.1379	0.114	30	117.1379	0.114	30	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	N[5a]-3:C[6]-3:N[6]-2:	C[6](C[6]N[5a]N[6])(C[6]N[5]N[6])(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]N[5a]N[6])(C[6]N[5]N[6])(H){1|Fe<6>,1|N<2>,1|N<3>,3|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	114.5510	0.431	2	114.7120	0.114	6	114.6130	0.163	7	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	N[5a]-3:C[6]-3:N[6]-2:	C[6](C[6]N[5a]N[6])(C[6]N[5]N[6])(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]N[5a]N[6])(C[6]N[5]N[6])(H){1|Fe<6>,1|N<2>,1|N<3>,3|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	114.7925	0.319	4	114.7120	0.114	6	114.6130	0.163	7	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	N[5a]-3:C[6]-3:N[6]-2:	C[6](C[6]N[5a]N[6])(C[6]N[5]N[6])(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6])	C[6](C[6]N[5a]N[6])(C[6]N[5]N[6])(H){1|Pd<4>,1|N<2>,1|N<3>,3|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(N[6]C[6]){2|C<3>,2|H<1>,2|N<3>}	114.0190	0.000	1	114.0190	0.000	1	114.6130	0.163	7	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]H){1|C<2>,1|C<3>,1|H<1>,2|S<2>}	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	117.6050	0.000	1	117.6050	0.000	1	117.6050	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	118.3400	0.216	4	118.3400	0.047	4	118.1692	0.693	37	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	118.4610	0.443	2	118.4610	0.196	2	118.1692	0.693	37	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	117.9070	0.268	8	117.9070	0.072	8	118.1692	0.693	37	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	118.0295	0.383	2	118.5082	0.382	6	118.1692	0.693	37	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	118.7475	0.598	4	118.5082	0.382	6	118.1692	0.693	37	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	118.1230	0.364	6	118.1230	0.132	6	118.1692	0.693	37	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	117.8840	0.040	2	117.8840	0.002	2	118.1692	0.693	37	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	118.0680	1.004	2	118.0680	1.008	2	118.1692	0.693	37	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CNO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	119.1460	0.000	1	119.1460	0.000	1	118.1692	0.693	37	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CNO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	117.3125	3.881	2	117.3125	15.065	2	118.1692	0.693	37	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(COO){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	118.3155	0.642	4	118.3155	0.412	4	118.1692	0.693	37	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CNO){1|S<2>,2|C<3>}	C[6](C[6]C[6]H)2(SC){1|N<3>,2|C<3>}	118.4404	0.597	8	118.4404	0.357	8	118.4404	0.357	8	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:N-2:	C[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NN)	C[6](C[6]N[6]N)2(H){2|Zn<6>,1|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NHN){1|C<3>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NN){1|C<3>,2|N<3>}	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(OC){1|H<1>,2|N<3>}	117.0887	0.335	3	117.0887	0.113	3	117.1164	0.071	5	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2){1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6]H)2(OC){3|N<3>}	117.1580	0.226	2	117.1580	0.051	2	117.1164	0.071	5	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|H<1>,2|C<3>}	120.6470	0.000	1	120.6470	0.000	1	120.6470	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a,6]S[5a])(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|O<2>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a,6]S[5a])(C[6]C[6]O)2{1|O<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,1|S<2>,3|C<3>}	119.2090	0.000	1	119.2090	0.000	1	119.7419	0.589	7	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,4|C<3>}	120.0805	0.439	2	119.8277	0.556	4	119.7419	0.589	7	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,4|C<3>}	119.5750	1.105	2	119.8277	0.556	4	119.7419	0.589	7	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|H<1>,2|C<3>}	120.7120	0.000	1	120.7120	0.000	1	119.7419	0.589	7	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(OC)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OC){1|O<1>,2|C<3>}	118.9610	0.000	1	118.9610	0.000	1	119.7419	0.589	7	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]C[6,6])(C[6]C[6,6]C[6])(C[6]C[6]O){1|O<1>,2|C<4>,2|O<2>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|C<3>}	117.7365	0.419	2	117.7365	0.176	2	117.7365	0.176	2	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(OH){3|C<3>}	118.8200	1.152	4	118.8200	1.327	4	118.8200	1.327	4	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|H<1>,2|C<3>}	120.0482	0.862	4	120.0482	0.743	4	117.5009	2.417	45	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|N<3>,2|C<3>}	116.4900	0.000	1	116.4900	0.000	1	117.5009	2.417	45	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Br<1>,2|C<3>}	116.8150	0.919	2	116.6787	0.876	19	117.5009	2.417	45	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,2|C<3>}	115.9170	0.000	1	116.6787	0.876	19	117.5009	2.417	45	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|H<1>,2|C<3>}	116.8241	1.175	11	116.6787	0.876	19	117.5009	2.417	45	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|N<2>,2|C<3>}	116.4568	0.045	5	116.6787	0.876	19	117.5009	2.417	45	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|H<1>,2|C<3>}	117.2940	0.583	18	117.2940	0.340	18	117.5009	2.417	45	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(OH){1|H<1>,2|C<3>}	118.7460	0.000	1	118.7460	0.000	1	117.5009	2.417	45	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CC[6]O)	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CC[6]O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(OH){1|O<1>,2|C<3>}	121.9625	0.793	2	121.9625	0.628	2	117.5009	2.417	45	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]2)(C[6]C[6]O)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]2)(C[6]C[6]O)(O){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)2{2|O<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|O<1>,2|C<3>}	119.2200	0.000	1	119.2200	0.000	1	119.2200	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(N[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	C[6](C[6]C[6]O)2(N[6]C[6]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|N<3>,1|O<1>}	114.8520	0.000	1	114.8520	0.000	1	114.8520	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|O<1>,2|C<3>}	117.6490	0.000	1	117.6490	0.000	1	117.6490	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(OH)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(OH){1|O<1>,4|C<3>}	120.4110	0.000	1	120.4110	0.000	1	120.4110	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:S-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H)	C[6](C[6]C[6]S)(C[6]S[6]C)(OH)	C[6](C[6]C[6]N)(C[6]C[6]O)(S){1|C<3>,1|N<3>,1|S<2>}	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H){1|C<3>,1|O<2>}	C[6](C[6]C[6]S)(C[6]S[6]C)(OH){1|C<3>,1|N<3>}	121.4130	0.000	1	121.4130	0.000	1	121.4130	0.000	1	118.5293	2.512	412	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])2(H)	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])2(H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{2|H<1>,4|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{2|H<1>,4|C<3>}	122.2240	0.000	1	122.2240	0.000	1	120.6495	4.958	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])2(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])2(H){2|H<1>,5|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|O<1>,3|C<4>}	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|O<1>,3|C<4>}	119.0750	0.000	1	119.0750	0.000	1	120.6495	4.958	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	120.8445	0.148	2	120.8445	0.022	2	121.0708	0.120	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<2>,3|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	121.2970	0.365	2	121.2970	0.133	2	121.0708	0.120	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|C<2>,1|N<3>,5|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)(N[6]C[6]N){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	122.5650	1.103	2	122.5650	1.217	2	122.5650	1.217	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	118.0390	0.688	3	118.0390	0.473	3	118.8185	2.746	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|C<3>}	121.1570	0.000	1	121.1570	0.000	1	118.8185	2.746	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[5]N[6])(C[6]C[6]N)(H)	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[5]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,3|N<3>}	C[6](C[6]C[6]H)2(NHH){1|C<3>,2|N<3>}	118.2675	0.104	2	118.2675	0.011	2	118.2675	0.011	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.0422	0.615	12	119.0422	0.378	12	119.1206	0.387	14	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5]N[5]S[5])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Pt)(C[6]C[6]H){5|C<3>}	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)2{1|N<3>,6|C<3>}	119.5910	0.594	2	119.5910	0.353	2	119.1206	0.387	14	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	119.5280	0.000	1	119.5280	0.000	1	119.3153	0.470	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){5|C<3>}	118.6580	0.098	2	118.6580	0.010	2	119.3153	0.470	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){5|C<3>}	119.3085	0.429	2	119.3085	0.184	2	119.3153	0.470	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	120.4310	0.000	1	120.4310	0.000	1	119.3153	0.470	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])2(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	120.8870	0.000	1	120.7788	0.502	6	120.7788	0.502	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])2(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	120.7572	0.790	5	120.7788	0.502	6	120.7788	0.502	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	121.2940	0.000	1	121.2940	0.000	1	121.5675	0.150	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	121.8410	0.000	1	121.8410	0.000	1	121.5675	0.150	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]N)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[5a]C[6])(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(NOO){3|C<3>}	120.2403	0.380	4	120.2403	0.145	4	120.2403	0.145	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	119.8140	0.290	2	119.8140	0.084	2	119.8140	0.084	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a]N[6])2(H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5a]N[6])2(H){2|Pt<4>,2|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<3>,3|C<3>}	119.4580	0.000	1	119.4580	0.000	1	119.4580	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|C<3>,2|N<2>}	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	117.9760	0.000	1	117.9760	0.000	1	118.7653	2.036	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|C<3>,2|N<2>}	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	118.0915	0.104	2	118.0915	0.011	2	118.7653	2.036	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|C<3>}	120.9020	0.000	1	120.9020	0.000	1	118.7653	2.036	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	119.7580	0.000	1	119.7580	0.000	1	120.8797	1.189	3	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H)	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.4405	0.701	2	121.4405	0.491	2	120.8797	1.189	3	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6,6]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6])(C[6]C[6a]N[6])(H){1|C<4>,6|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|N<3>,2|C<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6,6]C)(C[6]C[6]H){1|C<2>,2|H<1>,4|C<3>}	121.8800	0.000	1	121.8800	0.000	1	121.8800	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6,6]C[6a])(C[6]C[6]N[6])(H)	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cd)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]N[6])(H){1|Cd<5>,1|C<4>,1|N<3>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6,6]Cd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	119.9590	0.000	1	119.9590	0.000	1	119.9590	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,4|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(CC[6a]O){3|C<3>}	120.9260	0.000	1	120.9260	0.000	1	120.9260	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCC){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){3|C<3>}	124.2520	0.421	2	124.2520	0.178	2	121.6442	5.720	5	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(COO){3|C<3>}	119.9057	0.126	3	119.9057	0.016	3	121.6442	5.720	5	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H){1|Cu<4>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){1|H<1>,5|C<3>}	119.6720	0.291	2	119.6720	0.085	2	119.8888	0.064	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H){1|Mn<6>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]N[6])(C[6]C[6]H){1|H<1>,5|C<3>}	120.1020	0.212	2	120.1020	0.045	2	119.8888	0.064	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](N[6]C[6,6a]Os)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H){1|Os<6>,1|N<3>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Os)(C[6]C[6]N[6])(C[6]C[6]H){1|H<1>,5|C<3>}	119.8925	0.073	2	119.8925	0.005	2	119.8888	0.064	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CNO)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Pt<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CNO){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,5|C<3>}	121.3300	0.000	1	121.3300	0.000	1	121.0559	0.475	7	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Ir<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,5|C<3>}	121.1280	1.041	2	121.1280	1.083	2	121.0559	0.475	7	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Pd<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,5|C<3>}	121.0780	0.000	1	121.0780	0.000	1	121.0559	0.475	7	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Pt<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(COO){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,5|C<3>}	120.9090	0.899	3	120.9090	0.808	3	121.0559	0.475	7	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CCH){1|N<3>,2|C<3>}	122.7690	0.369	2	122.7690	0.136	2	122.0845	0.715	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(COO){1|N<3>,2|C<3>}	121.4000	0.365	2	121.4000	0.133	2	122.0845	0.715	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|Ir<6>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,5|C<3>}	122.5990	0.266	2	122.5990	0.071	2	121.9158	1.312	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]N[6])(H){1|Pt<4>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,5|C<3>}	121.2325	1.414	2	121.2325	1.998	2	121.9158	1.312	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6]-3:N-3:	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H){1|H<1>,2|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(NOO){2|C<3>,3|C<4>}	120.2600	0.000	1	120.2600	0.000	1	120.2600	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]C)2(H){1|C<4>,2|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]H){1|C<4>,1|O<2>,2|C<3>}	124.5230	0.000	1	124.5230	0.000	1	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|C<4>,2|C<3>}	125.4180	0.000	1	125.4180	0.000	1	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	122.6660	0.082	2	122.6660	0.007	2	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<4>,2|C<3>}	121.2827	1.753	3	121.2827	3.072	3	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHH)	C[6](C[6]C[6]C)2(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHH){2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHH){2|C<3>}	120.3530	0.000	1	120.3530	0.000	1	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<4>,2|C<3>}	119.8671	0.462	9	119.7796	0.189	12	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|O<1>,2|C<3>}	119.5170	0.218	3	119.7796	0.189	12	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<3>}	120.4350	0.000	1	119.3277	0.653	6	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,2|C<3>}	119.9270	0.000	1	119.3277	0.653	6	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,2|C<3>}	118.6710	0.000	1	119.3277	0.653	6	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<6>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<6>,2|C<3>}	119.5720	0.000	1	119.3277	0.653	6	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,2|C<3>}	118.6805	0.593	2	119.3277	0.653	6	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(COO){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|O<1>,2|C<3>}	120.4940	0.000	1	120.4940	0.000	1	120.4922	2.984	27	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<4>,2|C<3>}	120.9040	0.000	1	120.7310	0.082	3	119.9689	0.416	58	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)2(NOO){1|O<2>,2|C<3>}	120.4010	0.000	1	120.7310	0.082	3	119.9689	0.416	58	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|C<3>}	120.8880	0.000	1	120.7310	0.082	3	119.9689	0.416	58	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|H<1>,2|C<3>}	120.0362	0.420	24	120.0286	0.171	25	119.9689	0.416	58	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|C<3>}	119.8460	0.000	1	120.0286	0.171	25	119.9689	0.416	58	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|H<1>,2|C<3>}	120.7405	0.275	2	120.7405	0.076	2	119.9689	0.416	58	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|C<3>}	119.8171	0.739	27	119.7789	0.567	28	119.9689	0.416	58	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NOO){3|C<3>}	118.7460	0.000	1	119.7789	0.567	28	119.9689	0.416	58	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|H<1>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|H<1>,4|C<3>}	122.7110	0.000	1	122.7110	0.000	1	122.7110	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	P-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](PC[6a]C[6])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,1|C<4>,1|P<3>}	C[6](PC[6a]C[6])(C[6]C[6]H)2{1|C<4>,2|C<3>}	122.1405	0.067	2	122.1405	0.005	2	122.1405	0.005	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	122.3258	0.883	6	122.3258	0.780	6	122.2354	0.707	7	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]H)2(C[6]N[6]2){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	121.6930	0.000	1	121.6930	0.000	1	122.2354	0.707	7	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|O<1>,2|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){3|C<3>}	123.1824	0.226	8	123.1824	0.051	8	123.1824	0.051	8	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H){2|Pt<4>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|F<1>,1|H<1>,4|C<3>}	119.6970	0.000	1	119.6970	0.000	1	119.6970	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CNN){1|C<3>,1|H<1>,1|N<3>}	120.7750	0.378	5	120.7750	0.143	5	120.7750	0.143	5	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	118.3170	0.000	1	118.9699	0.198	16	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	118.9391	0.439	12	118.9699	0.198	16	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|N<3>,2|C<3>}	119.3110	0.190	3	118.9699	0.198	16	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H)	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	118.4930	0.000	1	118.4930	0.000	1	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCuC)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCuC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	122.8780	0.000	1	122.8780	0.000	1	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	119.6160	0.000	1	119.6160	0.000	1	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN){1|C<3>,1|N<3>,1|S<4>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|N<3>,1|S<4>}	118.3550	0.000	1	118.3550	0.000	1	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NNiC)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NNiC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	119.8295	0.030	2	119.8295	0.001	2	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	121.0150	0.165	7	121.0150	0.027	7	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	119.3772	0.567	17	119.0873	0.476	713	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,2|N<3>}	119.0843	0.698	667	119.0873	0.476	713	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|C<3>}	118.9848	0.508	29	119.0873	0.476	713	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NPdC)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NPdC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	121.2420	0.754	3	121.2420	0.568	3	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NPtC)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NPtC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	120.4040	1.280	2	120.4040	1.638	2	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)2(H){3|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|N<3>,1|O<1>}	119.7290	0.000	2	119.7290	0.000	2	119.1226	0.542	749	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|N<3>}	119.8670	0.000	1	119.8670	0.000	1	119.1510	1.025	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]N[6]Rh)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|Rh<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6]Rh)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|N<3>}	118.4350	0.000	1	118.4350	0.000	1	119.1510	1.025	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|N<3>,2|C<3>}	119.2873	0.472	4	119.2873	0.223	4	119.2873	0.223	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	121.2290	0.000	1	121.2290	0.000	1	119.7490	2.054	3	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	118.3680	0.000	1	119.0090	0.822	2	119.7490	2.054	3	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.6500	0.000	1	119.0090	0.822	2	119.7490	2.054	3	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|H<1>,1|N<3>,1|W<6>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.1263	0.768	6	121.1263	0.590	6	121.1263	0.590	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(PCC)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(PCC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|P<3>}	123.0960	0.110	2	123.0960	0.012	2	123.0960	0.012	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]P[6])(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(P[6]C[6]W)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]P[6])(H){1|H<1>,1|N<3>,1|W<6>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(P[6]C[6]W){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	124.8328	0.451	4	124.8328	0.203	4	124.8328	0.203	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6]C[6a]P[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]P[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])2(H){1|P<3>,6|C<3>}	C[6](C[6]C[6a]P[6])(C[6a]C[6a]2)(C[6]C[6]H){1|S<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]P[6])(C[6a]C[6a]2)(C[6]C[6]H){1|S<1>,2|H<1>,6|C<3>}	126.9840	0.000	1	126.9840	0.000	1	126.9840	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,3|N<2>}	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(C[6]C[6]H){1|H<1>,4|C<3>}	119.8250	0.000	1	119.8250	0.000	1	119.8250	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[5]-3:N[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]O)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]H)(N[5]C[5]2)(N[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(NOO){1|H<1>,2|N<3>}	120.3030	0.000	1	120.3030	0.000	1	120.3030	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCH){3|C<3>}	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|C<3>}	122.4333	0.444	8	122.4333	0.197	8	121.9081	1.617	10	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	118.7730	0.000	1	118.7730	0.000	1	121.9081	1.617	10	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	120.8420	0.000	1	120.8420	0.000	1	121.9081	1.617	10	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	119.7440	0.744	2	119.6307	0.315	3	119.6307	0.315	3	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(COO)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	119.4040	0.000	1	119.6307	0.315	3	119.6307	0.315	3	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	120.2343	0.245	4	120.2343	0.060	4	119.9963	0.324	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	119.5765	0.699	2	119.5765	0.489	2	119.9963	0.324	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	120.0470	0.000	1	120.0470	0.000	1	119.9963	0.324	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	121.1300	0.000	1	121.1300	0.000	1	119.9963	0.324	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	119.7013	0.262	8	119.7013	0.068	8	119.9963	0.324	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Zn<5>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	120.0985	0.745	8	120.0849	0.449	12	119.9963	0.324	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	120.0577	0.594	4	120.0849	0.449	12	119.9963	0.324	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.2197	0.463	32	119.2197	0.215	32	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|C<4>,1|N<3>}	118.6947	0.304	4	119.1035	0.599	6	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.9210	0.843	2	119.1035	0.599	6	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	121.4960	0.669	4	121.2002	0.773	5	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	120.0170	0.000	1	121.2002	0.773	5	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	120.6410	0.000	1	120.6410	0.000	1	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.8530	0.618	12	119.8530	0.382	12	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.0055	0.081	2	119.0055	0.007	2	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	120.7877	0.683	3	120.7877	0.467	3	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	118.8980	0.259	2	119.0384	0.124	7	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.0946	0.395	5	119.0384	0.124	7	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.1972	0.525	4	119.1972	0.275	4	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	118.5397	1.211	3	119.3150	0.552	40	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.2342	0.640	25	119.3150	0.552	40	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|N<3>}	117.8260	0.000	1	119.3150	0.552	40	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	120.4620	0.000	1	119.3150	0.552	40	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.7837	0.343	10	119.3150	0.552	40	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	120.8050	0.550	2	120.8050	0.303	2	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.6393	0.306	6	119.6393	0.094	6	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.7760	0.528	2	119.7760	0.278	2	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<9>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	119.6550	0.000	1	119.6550	0.000	1	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	119.6300	0.000	1	119.6300	0.000	1	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.5892	0.656	40	119.5892	0.431	40	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CHO){1|C<3>,1|H<1>,1|N<3>}	118.8760	0.000	1	118.8760	0.000	1	119.5048	0.565	165	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.1829	0.376	8	119.1829	0.142	8	119.3496	0.717	25	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Cr<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	118.6970	0.433	2	118.6970	0.187	2	119.3496	0.717	25	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Cu<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.6248	1.007	4	119.6248	1.014	4	119.3496	0.717	25	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	118.8250	0.328	2	118.8250	0.108	2	119.3496	0.717	25	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	119.9650	0.723	2	119.9650	0.522	2	119.3496	0.717	25	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ni<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.0923	1.532	4	119.0923	2.346	4	119.3496	0.717	25	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|N<3>}	120.6330	0.000	1	120.6330	0.000	1	119.3496	0.717	25	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	119.9005	0.326	2	119.9005	0.106	2	119.3496	0.717	25	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	119.1450	1.178	4	119.1450	1.387	4	119.1918	1.942	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	117.2895	0.125	2	117.2895	0.016	2	119.1918	1.942	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	120.1985	0.011	2	120.1985	0.000	2	119.1918	1.942	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(NC[6a]2){1|N<3>,2|C<3>}	120.3837	1.366	4	120.3837	1.865	4	119.1918	1.942	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	118.7650	0.723	4	119.5275	1.861	6	119.1918	1.942	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	121.0525	0.873	2	119.5275	1.861	6	119.1918	1.942	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	119.6310	0.000	1	119.6310	0.000	1	119.1918	1.942	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(NC[6a]2){1|N<3>,2|C<3>}	119.7540	0.000	1	119.7540	0.000	1	119.1918	1.942	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(NC[6a]2){1|N<3>,2|C<3>}	118.8800	0.000	1	118.8800	0.000	1	119.1918	1.942	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	117.0670	0.273	2	117.0670	0.074	2	119.1918	1.942	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|C<3>}	118.1245	1.030	2	118.1245	1.061	2	119.1918	1.942	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(NCO){1|C<3>,1|H<1>,1|N<3>}	120.0820	0.000	1	120.0820	0.000	1	119.1918	1.942	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:S-3:	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(SPtC)	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|S<3>,4|C<3>}	C[6](C[6]C[6]H)2(SPtC){1|N<3>,2|C<3>}	118.7580	0.926	2	118.7580	0.858	2	118.7580	0.858	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])2(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(H){2|Co<6>,2|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	117.5930	0.000	1	117.5930	0.000	1	117.9195	0.213	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])2(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])2(H){2|Ni<6>,2|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	118.2460	0.000	1	118.2460	0.000	1	117.9195	0.213	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ag<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.1137	0.299	4	120.1137	0.090	4	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.1585	0.274	2	121.1585	0.075	2	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.3912	0.576	11	120.1999	0.355	20	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.9661	0.562	9	120.1999	0.355	20	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	120.1755	0.112	2	120.1755	0.013	2	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.5235	0.066	2	119.6718	0.186	49	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.5460	0.495	6	119.6718	0.186	49	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.6487	0.392	41	119.6718	0.186	49	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cr<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.5380	0.588	3	119.5380	0.346	3	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	119.1455	0.387	2	119.1455	0.150	2	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	120.1352	0.517	12	119.8277	0.441	53	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.5940	0.000	1	119.8277	0.441	53	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	118.6265	0.243	2	119.8277	0.441	53	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.5679	0.775	18	119.8277	0.441	53	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.0089	0.446	20	119.8277	0.441	53	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	118.8160	0.637	4	119.6633	0.392	27	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.8106	0.505	23	119.6633	0.392	27	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Hg<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.9675	0.619	4	120.3524	0.693	10	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Hg<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.9423	0.716	6	120.3524	0.693	10	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.5775	0.856	8	120.2136	0.868	17	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	120.7791	0.574	9	120.2136	0.868	17	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mg<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,4|C<3>}	119.8580	0.597	2	119.8580	0.356	2	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.6880	0.395	2	120.0194	0.935	19	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,4|C<3>}	119.5463	1.967	4	120.0194	0.935	19	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.2160	0.536	13	120.0194	0.935	19	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	119.7110	0.511	2	119.7110	0.261	2	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mo<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.3440	0.000	1	120.8373	0.192	3	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mo<7>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.0840	0.139	2	120.8373	0.192	3	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ni<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.0062	1.456	12	120.0062	2.120	12	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Os<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.8225	0.429	2	120.8225	0.184	2	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.7630	0.045	2	120.7630	0.002	2	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.8740	0.988	27	119.9701	0.917	31	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	120.7960	0.263	2	119.9701	0.917	31	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.4405	0.084	2	119.9701	0.917	31	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	119.2143	0.205	4	119.2143	0.042	4	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.8150	0.675	6	120.9441	0.456	12	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	121.0732	0.713	6	120.9441	0.456	12	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Rh<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.1150	0.000	1	120.1150	0.000	1	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.8981	0.482	9	120.0859	0.261	13	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	120.5085	0.279	4	120.0859	0.261	13	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Sn<7>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.3690	0.008	2	119.3690	0.000	2	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.9110	0.000	1	119.9611	0.497	81	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.0687	0.521	56	119.9611	0.497	81	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	118.5422	0.149	4	119.9611	0.497	81	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	119.8961	0.890	20	119.9611	0.497	81	119.9632	0.597	375	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|N<3>,1|S<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|S<1>,2|N<3>}	120.0880	0.440	2	120.0880	0.193	2	120.0880	0.193	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6](C[6]N[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]N[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){3|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){3|N<3>}	118.7131	0.458	10	118.7131	0.210	10	118.7131	0.210	10	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]P[6])(H)	C[6](C[6]C[6]N[6])(P[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]P[6])(H){1|Mo<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(P[6]C[6]Mo)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	124.1890	0.000	1	124.1890	0.000	1	124.1890	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Cu)(C[6]C[6]H){5|C<3>}	119.1415	0.798	2	119.1415	0.637	2	119.2986	1.453	9	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[5]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){2|C<4>,3|C<3>}	118.4730	0.248	4	118.4730	0.062	4	119.2986	1.453	9	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	121.1225	1.172	2	121.1225	1.373	2	119.2986	1.453	9	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[5]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[5]N[5]S[5])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	119.2670	0.000	1	119.2670	0.000	1	119.2986	1.453	9	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[5a]N[5a]S[5a])(N[6]C[6]Re)(C[6]C[6]H){5|C<3>}	121.6490	0.000	1	121.6490	0.000	1	121.6490	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(CC[6a]2){3|C<3>}	123.1820	0.000	1	123.1820	0.000	1	123.1820	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){7|C<3>}	120.4425	0.503	2	120.4425	0.253	2	120.8244	0.092	20	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){7|C<3>}	120.8668	0.262	18	120.8668	0.069	18	120.8244	0.092	20	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	119.1202	0.685	6	119.1202	0.470	6	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Au<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Au)(C[6]C[6]H){1|H<1>,5|C<3>}	120.4170	0.134	2	120.4170	0.018	2	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,5|C<3>}	117.5495	1.347	2	117.5495	1.815	2	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	119.5142	0.789	6	119.5142	0.622	6	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	120.1870	0.000	1	120.1870	0.000	1	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|H<1>,5|C<3>}	119.1335	0.347	8	119.1335	0.121	8	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	119.9455	0.124	4	119.9455	0.015	4	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){2|H<1>,4|C<3>}	120.3570	0.390	2	119.8833	0.334	6	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,5|C<3>}	119.6465	0.530	4	119.8833	0.334	6	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	120.1860	0.000	1	120.1860	0.000	1	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mg<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){1|H<1>,5|C<3>}	119.5920	0.273	2	119.5920	0.074	2	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){2|H<1>,4|C<3>}	120.6390	0.000	1	120.6390	0.000	1	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ni<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,5|C<3>}	120.2380	0.238	2	120.2380	0.056	2	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	119.6215	0.042	2	119.8061	1.104	17	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	119.7925	1.202	13	119.8061	1.104	17	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	120.0785	0.296	2	119.8061	1.104	17	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	118.7705	0.888	4	118.7705	0.789	4	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|N<3>,2|N<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Ru)(C[6]C[6]H){1|H<1>,4|C<3>}	119.8640	0.000	1	119.8640	0.000	1	119.5589	0.805	63	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])2(H){1|O<1>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,2|O<2>,5|C<3>}	124.3180	0.000	1	124.3180	0.000	1	124.3872	1.783	16	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){2|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){2|C<4>,5|C<3>}	120.9460	0.000	1	120.9460	0.000	1	124.3872	1.783	16	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])2(H){1|H<1>,2|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|H<1>,4|C<3>}	123.2345	0.433	2	123.2345	0.188	2	124.3872	1.783	16	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6]C[6a]C[6])2(H){3|P<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|C<4>,1|U<8>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|C<4>,1|U<8>,2|H<1>,4|C<3>}	124.3120	0.808	2	124.6116	0.574	10	124.3872	1.783	16	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6]C[6a]C[6])2(H){3|P<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Mn<6>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Mn<6>,1|C<4>,2|H<1>,4|C<3>}	124.0270	0.000	1	124.6116	0.574	10	124.3872	1.783	16	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6]C[6a]C[6])2(H){3|P<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	124.8635	0.384	2	124.6116	0.574	10	124.3872	1.783	16	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6]C[6a]C[6])2(H){3|P<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Rh<6>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Rh<6>,1|C<4>,2|H<1>,4|C<3>}	124.2997	0.740	3	124.6116	0.574	10	124.3872	1.783	16	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6]C[6a]C[6])2(H){3|P<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|U<15>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|U<15>,1|C<4>,2|H<1>,4|C<3>}	126.1350	0.000	1	124.6116	0.574	10	124.3872	1.783	16	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6]C[6a]C[6])2(H){3|P<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|U<16>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|U<16>,1|C<4>,2|H<1>,4|C<3>}	124.7040	0.000	1	124.6116	0.574	10	124.3872	1.783	16	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])2(H){2|Si<4>,1|P<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H){2|H<1>,4|C<3>}	126.1770	0.000	1	126.1735	0.000	2	124.3872	1.783	16	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])2(H){2|Si<4>,1|P<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H){1|S<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H){1|S<1>,2|H<1>,4|C<3>}	126.1700	0.000	1	126.1735	0.000	2	124.3872	1.783	16	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Au<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|H<1>,5|C<3>}	119.6405	0.132	2	119.6405	0.017	2	121.2026	1.618	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	121.1988	0.472	4	121.3327	1.528	24	121.2026	1.618	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	121.3595	1.345	20	121.3327	1.528	24	121.2026	1.618	26	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:P[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(P[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Cu<4>,1|C<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|P<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(P[6]C[6]Cu)(C[6]C[6]H){2|H<1>,5|C<3>}	126.8255	0.223	4	126.8255	0.050	4	126.8255	0.050	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.3890	0.000	1	119.3890	0.000	1	119.2966	0.164	8	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.6030	0.000	1	119.6030	0.000	1	119.2966	0.164	8	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Zn<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCN){3|C<3>}	119.2440	0.572	4	119.2440	0.327	4	119.2966	0.164	8	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Zn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	119.2025	0.186	2	119.2025	0.035	2	119.2966	0.164	8	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>,1|N<3>}	122.0350	0.000	1	122.0350	0.000	1	122.0350	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]2){2|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.7374	0.352	20	121.7374	0.124	20	121.5978	0.226	33	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	122.0260	0.158	2	122.0310	0.013	3	121.5978	0.226	33	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){3|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|H<1>,4|C<3>}	122.0410	0.000	1	122.0310	0.013	3	121.5978	0.226	33	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.9455	0.450	4	120.9455	0.203	4	121.5978	0.226	33	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,1|W<6>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]W){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.3505	0.493	6	121.3505	0.243	6	121.5978	0.226	33	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:P[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6]W)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|H<1>,1|W<6>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(P[6]C[6]W){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	126.0572	0.777	10	126.0572	0.604	10	126.0572	0.604	10	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	120.8520	0.000	1	120.8520	0.000	1	120.9015	0.005	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	120.9510	0.000	1	120.9510	0.000	1	120.9015	0.005	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	121.5427	1.429	4	121.5427	2.042	4	119.7583	1.303	22	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	119.3251	0.573	17	119.3251	0.328	17	119.7583	1.303	22	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.9840	0.000	1	119.9840	0.000	1	119.7583	1.303	22	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H){1|Os<7>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	122.9310	0.000	1	122.9310	0.000	1	122.9310	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	121.1405	0.067	2	121.5548	0.222	5	121.1628	0.295	19	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	121.8310	0.395	3	121.5548	0.222	5	121.1628	0.295	19	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	120.6170	0.000	1	120.6170	0.000	1	121.1628	0.295	19	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	121.1919	0.505	10	121.1919	0.255	10	121.1628	0.295	19	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	120.8200	0.000	1	120.8200	0.000	1	121.1628	0.295	19	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	120.4380	0.000	1	120.4380	0.000	1	121.1628	0.295	19	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(NC[6a]2){1|N<3>,2|C<3>}	120.5250	0.000	1	120.5250	0.000	1	121.1628	0.295	19	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	122.4763	0.683	3	122.4763	0.467	3	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Au<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.1665	0.743	4	121.1665	0.551	4	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Cd<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cd)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.2510	0.174	2	120.2510	0.030	2	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Co<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.4925	0.172	2	121.4925	0.030	2	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Cr<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.0440	0.000	1	121.0440	0.000	1	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Hg<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Hg)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.1355	0.975	4	121.1355	0.950	4	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	120.9840	0.030	2	121.3753	0.599	25	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|F<1>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	121.5783	0.670	12	121.3753	0.599	25	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.8534	0.860	5	121.3753	0.599	25	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.5454	0.520	5	121.3753	0.599	25	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.4820	0.000	1	121.3753	0.599	25	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Mn<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,6|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	120.7490	0.027	2	120.7490	0.001	2	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Mo<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Mo)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.7930	0.000	1	120.7930	0.000	1	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Os<7>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Os)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	122.4440	0.000	1	122.4440	0.000	1	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Pt<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	122.9000	0.000	2	120.9142	1.224	24	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Pt<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.7046	0.979	21	120.9142	1.224	24	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Pt<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	121.3440	0.000	1	120.9142	1.224	24	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Rh<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.7040	0.000	1	120.7040	0.000	1	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Zn<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Zn)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.0910	0.000	1	121.0910	0.000	1	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Cu<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.7380	0.000	1	120.7380	0.000	1	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	121.0820	0.000	1	120.6205	0.426	2	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.1590	0.000	1	120.6205	0.426	2	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Mn<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.1670	0.000	1	121.1670	0.000	1	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Pt<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.4815	0.028	2	120.8948	0.228	4	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Pt<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.3080	0.024	2	120.8948	0.228	4	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Re)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.0558	0.811	5	121.0558	0.658	5	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ru<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.7990	0.000	1	121.7990	0.000	1	121.1509	0.777	85	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Au)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Au<2>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(P[6]C[6]Au)(C[6]C[6]H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<1>,1|P<3>,2|H<1>,3|C<3>}	126.1350	0.000	1	126.1350	0.000	1	125.8073	2.159	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Ir<8>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(P[6]C[6]Ir)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	124.1810	0.000	1	125.6100	4.084	2	125.8073	2.159	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Ir<8>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(P[6]C[6]Ir)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	127.0390	0.000	1	125.6100	4.084	2	125.8073	2.159	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Mo<6>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(P[6]C[6]Mo)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	126.7900	0.000	1	126.7900	0.000	1	125.8073	2.159	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Rh<8>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(P[6]C[6]Rh)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	123.7460	0.000	1	125.3495	5.142	2	125.8073	2.159	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:P[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(P[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Rh<8>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(P[6]C[6]Rh)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	126.9530	0.000	1	125.3495	5.142	2	125.8073	2.159	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(CCH){3|N<3>}	117.9198	0.391	73	117.9198	0.153	73	117.5200	0.463	113	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(CNS){3|N<3>}	116.9375	0.450	19	116.9375	0.203	19	117.5200	0.463	113	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(COO){3|N<3>}	116.5651	0.390	14	116.6389	0.169	18	117.5200	0.463	113	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	116.8975	0.426	4	116.6389	0.169	18	117.5200	0.463	113	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Mn<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Mn)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(COO){3|N<3>}	117.3040	0.000	1	117.3040	0.000	1	117.5200	0.463	113	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Zn)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	116.4980	0.269	2	116.4980	0.072	2	117.5200	0.463	113	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]H)2(NHH){1|C<3>,2|N<3>}	117.6460	0.771	2	117.6460	0.594	2	117.6460	0.594	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6]N[6])(C[6]N[5]N[6])(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[5]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(N[6]C[6]2){2|C<4>,3|N<3>,4|H<1>}	118.1520	0.505	4	118.1520	0.256	4	118.1520	0.256	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[5]N[6])(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[5]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|N<3>}	118.1093	0.818	4	118.1093	0.669	4	118.1093	0.669	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[5a]-3:C[6]-3:C[6]-3:	N[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]N[5a]C[6])2(H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]N[5a]C[6])2(H){1|N<3>,2|H<1>,4|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|N<3>,5|C<3>}	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|N<3>,5|C<3>}	118.9145	0.345	4	118.9145	0.119	4	118.9145	0.119	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	118.0610	0.072	2	118.0610	0.005	2	118.6404	0.247	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.4790	0.000	1	118.8738	0.161	5	118.6404	0.247	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	118.7225	0.248	4	118.8738	0.161	5	118.6404	0.247	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	118.9350	0.000	1	118.7227	0.078	3	118.6404	0.247	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	118.6165	0.296	2	118.7227	0.078	3	118.6404	0.247	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.2593	0.374	3	119.2593	0.140	3	118.6404	0.247	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCN){3|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	118.3517	0.222	4	118.3517	0.049	4	118.6404	0.247	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	119.6170	0.000	1	119.6170	0.000	1	118.6404	0.247	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(COO){3|C<3>}	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	118.0830	0.153	4	118.0830	0.023	4	118.6404	0.247	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	118.6898	0.375	6	118.6898	0.141	6	118.6404	0.247	28	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	120.1010	0.054	2	119.8836	0.343	5	120.0202	0.250	12	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCN){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	119.7387	0.778	3	119.8836	0.343	5	120.0202	0.250	12	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	120.1555	0.628	4	120.1555	0.394	4	120.0202	0.250	12	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	120.0677	0.119	3	120.0677	0.014	3	120.0202	0.250	12	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:N-3:	C[6](C[6]N[6]N)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCN)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCN)	C[6](C[6]N[6]N)2(H){1|Pd<4>,1|Zn<5>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(NCN){1|C<4>,2|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(NCN){1|C<4>,2|N<3>}	116.7740	0.000	1	116.7740	0.000	1	123.9932	21.256	5	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:N-3:	C[6](C[6]N[6]N)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H){1|Ge<2>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC){2|C<3>,2|N<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(NCC){2|C<3>,2|N<3>}	128.7850	0.000	1	128.7850	0.000	1	123.9932	21.256	5	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:N-3:	C[6](C[6]N[6]N)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H){1|Si<3>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|P<3>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|P<3>,2|C<3>,2|N<3>}	123.5160	0.000	1	125.3100	6.437	2	123.9932	21.256	5	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:N-3:	C[6](C[6]N[6]N)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|H<1>,2|C<3>,3|N<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(NCC){1|H<1>,2|C<3>,3|N<3>}	127.1040	0.000	1	125.3100	6.437	2	123.9932	21.256	5	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:N-3:	C[6](C[6]N[6]N)2(H)	C[6](N[6]Ge[6]Ge)(C[6]C[6]H)(NCC)	C[6](N[6]Ge[6]H)(C[6]C[6]H)(NCC)	C[6](C[6]N[6]N)2(H){2|Ge<4>,1|H<1>}	C[6](N[6]Ge[6]Ge)(C[6]C[6]H)(NCC){2|Cl<1>,2|N<3>}	C[6](N[6]Ge[6]H)(C[6]C[6]H)(NCC){2|Cl<1>,2|N<3>}	123.7870	0.000	1	123.7870	0.000	1	123.9932	21.256	5	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]N[5]N[6])(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[5]N[6])(H){1|Ru<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,2|C<3>,3|N<3>}	119.3890	0.914	4	119.3890	0.836	4	119.3890	0.836	4	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[5]C[6])(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[6a]N[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<3>,3|C<3>,4|C<4>}	122.0375	0.028	2	122.0375	0.001	2	122.0375	0.001	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H){1|H<1>,2|N<3>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[6]C[6]H)2(C[6]N[6]2){1|N<3>,6|C<3>}	122.9570	0.590	2	122.9570	0.348	2	122.9570	0.348	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](N[6]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[6](N[6]C[6]N[5])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	122.6585	0.490	2	122.6585	0.240	2	122.1963	0.177	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	121.9652	0.032	4	121.9652	0.001	4	122.1963	0.177	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]N[6])2(H)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]N[6])2(H){1|B<4>,6|C<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|F<1>,2|H<1>,5|C<3>}	123.4450	0.419	6	123.4450	0.176	6	123.4450	0.176	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5a]C[6])2(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5a]C[6])2(O){2|H<1>,2|N<3>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	118.2555	0.357	2	118.2555	0.128	2	118.2555	0.128	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|C<4>,1|H<1>,7|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	117.3430	0.000	1	118.6255	3.290	2	118.6255	3.290	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a,6a]C[6a])(C[6]C[6]O){1|H<1>,1|O<2>,7|C<3>}	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	119.9080	0.000	1	118.6255	3.290	2	118.6255	3.290	2	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<4>,2|C<3>}	116.1585	0.293	2	116.1585	0.086	2	117.1288	4.635	12	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<4>,2|C<3>}	116.3270	0.000	1	116.4735	0.043	2	117.1288	4.635	12	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|H<1>,2|C<3>}	116.6200	0.000	1	116.4735	0.043	2	117.1288	4.635	12	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|H<1>,2|C<3>}	119.0260	0.000	1	115.1930	29.384	2	117.1288	4.635	12	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|C<3>}	111.3600	0.000	1	115.1930	29.384	2	117.1288	4.635	12	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CCN)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(O){1|C<3>,2|O<2>}	C[6](C[6]C[6]O)2(CCN){3|C<3>}	C[6](C[6]C[6]O)2(CCO){3|C<3>}	119.3010	0.000	1	119.3010	0.000	1	117.1288	4.635	12	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]C)2(O){1|C<3>,2|O<1>}	C[6](C[6]C[6]O)2(CHN){3|C<3>}	C[6](C[6]C[6]O)2(CHN){3|C<3>}	118.1190	0.634	5	118.1190	0.402	5	117.1288	4.635	12	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	115.3130	0.000	1	115.3130	0.000	1	114.9513	0.916	32	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	114.5230	0.000	1	114.5230	0.000	1	114.9513	0.916	32	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|H<1>,2|C<3>}	113.2040	0.092	2	113.6373	0.568	3	114.9513	0.916	32	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	114.5040	0.000	1	113.6373	0.568	3	114.9513	0.916	32	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	115.0998	0.902	27	115.0998	0.814	27	114.9513	0.916	32	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]O)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)2(CCC){1|C<3>,2|N<3>}	117.8305	0.806	6	117.8305	0.649	6	117.8305	0.649	6	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	111.6316	1.048	338	111.6138	1.116	342	111.7920	1.863	365	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	110.1077	0.627	4	111.6138	1.116	342	111.7920	1.863	365	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	112.3961	0.287	7	112.3961	0.082	7	111.7920	1.863	365	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]N)2(O){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC){1|C<3>,1|N<3>,1|O<1>}	120.7620	0.000	1	120.7620	0.000	1	111.7920	1.863	365	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(O){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH){1|C<3>,1|N<3>,1|O<1>}	119.3590	0.000	1	119.3590	0.000	1	111.7920	1.863	365	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	115.8690	4.352	2	114.6616	2.342	14	111.7920	1.863	365	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(O){1|C<3>,2|O<1>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	115.6443	0.634	3	114.6616	2.342	14	111.7920	1.863	365	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(O){1|C<3>,2|O<2>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	114.0658	0.460	9	114.6616	2.342	14	111.7920	1.863	365	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|H<1>,2|C<3>}	116.7500	0.000	1	116.7500	0.000	1	116.7500	0.000	1	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])2(O){2|H<1>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,5|C<3>}	117.2950	0.000	1	117.2950	0.000	1	116.8296	2.410	13	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])2(O){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	119.9740	0.000	1	116.7908	2.608	12	116.8296	2.410	13	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])2(O){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	116.0076	0.319	9	116.7908	2.608	12	116.8296	2.410	13	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])2(O){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	120.2650	0.000	1	116.7908	2.608	12	116.8296	2.410	13	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])2(O){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|H<1>,5|C<3>}	117.1830	0.000	1	116.7908	2.608	12	116.8296	2.410	13	118.5127	10.025	2569	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]Br)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]Br)2(CH3){1|C<4>,2|N<3>}	121.8935	0.209	2	121.8935	0.044	2	121.8935	0.044	2	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H)	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(NOO)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,6]N[5,6]O[5])(C[6]C[6]H)(NOO){1|Si<5>,1|C<3>,2|C<4>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	121.5588	0.874	4	121.5588	0.763	4	121.5588	0.763	4	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6a]C[5,5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5]C[5,6a]C[5,5])(C[6]C[6]H)2{2|C<4>,2|O<2>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	123.2335	0.470	2	123.2335	0.221	2	123.0792	1.152	9	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6a]C[5,6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5]C[5,6a]C[5,6])(C[6]C[6]H)2{1|O<2>,2|C<4>,5|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	124.1180	1.573	2	124.1180	2.473	2	123.0792	1.152	9	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)2{1|O<2>,2|C<4>,5|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	123.3145	1.053	2	123.3145	1.109	2	123.0792	1.152	9	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,3|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	121.6380	0.000	1	121.6380	0.000	1	123.0792	1.152	9	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	122.3715	0.146	2	122.3715	0.021	2	123.0792	1.152	9	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	122.2654	0.421	5	122.2654	0.177	5	122.7260	0.410	9	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	123.3017	0.246	4	123.3017	0.061	4	122.7260	0.410	9	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	123.2880	0.324	2	123.1100	0.137	4	123.0764	0.109	5	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	122.9320	0.424	2	123.1100	0.137	4	123.0764	0.109	5	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|C<4>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	122.9420	0.000	1	122.9420	0.000	1	123.0764	0.109	5	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.4740	0.000	1	121.4740	0.000	1	121.2157	0.334	4	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.4755	0.443	2	121.4755	0.197	2	121.2157	0.334	4	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.4380	0.000	1	120.4380	0.000	1	121.2157	0.334	4	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]H){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){3|C<3>}	123.9280	0.167	2	123.9280	0.028	2	123.9280	0.028	2	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NC[6a]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>}	121.0610	0.000	1	121.0610	0.000	1	120.9740	0.006	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|N<3>,2|C<3>}	120.9305	0.011	2	120.9305	0.000	2	120.9740	0.006	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Ag<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Ag)(C[6]C[6]H)(CH3){3|C<3>}	121.2125	0.377	8	121.2125	0.142	8	121.8798	0.414	39	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Co<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(CH3){3|C<3>}	121.9545	0.344	6	121.9545	0.118	6	121.8798	0.414	39	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Cu<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(CH3){3|C<3>}	121.7372	0.298	10	121.7372	0.089	10	121.8798	0.414	39	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Hg<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Hg)(C[6]C[6]H)(CH3){3|C<3>}	121.3572	0.310	4	121.3572	0.096	4	121.8798	0.414	39	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Ni<3>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]H)(CCHH){3|C<3>}	122.3570	0.136	2	122.3570	0.018	2	121.8798	0.414	39	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,2|N<3>,4|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(CH3){3|C<3>}	123.6480	0.000	1	123.6480	0.000	1	121.8798	0.414	39	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Pt<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(CH3){3|C<3>}	122.5247	0.123	4	122.5247	0.015	4	121.8798	0.414	39	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(H){1|Re<6>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]H)(CH3){3|C<3>}	122.6560	0.393	4	122.6560	0.155	4	121.8798	0.414	39	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	121.7490	0.000	1	121.7490	0.000	1	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	122.1420	0.000	1	122.1420	0.000	1	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]C)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	125.5280	0.000	1	125.5280	0.000	1	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	122.1830	0.000	1	122.1830	0.000	1	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	123.2240	0.000	1	123.2240	0.000	1	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CC3){1|Br<1>,2|C<3>}	122.2925	0.332	2	122.3423	0.109	6	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	122.3672	0.377	4	122.3423	0.109	6	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(CCHH){1|O<2>,2|C<3>}	120.9770	0.000	1	120.9770	0.000	1	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	122.3208	0.257	5	122.5206	0.274	10	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	121.5810	0.000	1	122.5206	0.274	10	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){3|C<3>}	123.0053	0.247	4	122.5206	0.274	10	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	122.4145	0.286	2	122.4145	0.082	2	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	121.9150	0.266	2	122.7032	0.858	4	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){3|C<3>}	123.4915	0.138	2	122.7032	0.858	4	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|H<1>,2|C<3>}	121.6710	0.000	1	121.6710	0.000	1	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Mo)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Mo<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Mo)(C[6]C[6]H)(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){3|C<3>}	122.0460	0.955	2	122.0460	0.911	2	122.4667	0.693	31	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]H)2(NH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(NH3){1|H<1>,2|C<3>}	120.3750	0.000	1	120.3750	0.000	1	120.3750	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|H<1>,2|C<3>}	120.7630	0.000	1	120.7630	0.000	1	120.7630	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH){1|C<4>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|N<3>,2|C<3>}	122.9090	0.000	1	122.9090	0.000	1	122.3693	0.255	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|S<4>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]S)(CH3){1|C<4>,1|H<1>,2|C<3>}	121.9080	0.000	1	121.9080	0.000	1	122.3693	0.255	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){3|C<3>}	122.2910	0.000	1	122.2910	0.000	1	122.3693	0.255	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(COO){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){3|C<3>}	119.2918	0.279	4	119.2918	0.078	4	119.2918	0.078	4	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	124.3195	0.353	2	124.3195	0.125	2	124.1854	0.075	5	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|O<1>,2|C<3>}	124.3680	0.000	1	124.3680	0.000	1	124.1854	0.075	5	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	123.9600	0.078	2	123.9600	0.006	2	124.1854	0.075	5	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|O<1>,4|C<4>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	123.5996	0.258	10	123.5996	0.067	10	123.5996	0.067	10	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	120.9670	0.027	2	120.9670	0.001	2	120.9670	0.001	2	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	120.5090	0.000	1	120.5090	0.000	1	120.3627	5.588	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	117.9290	0.000	1	117.9290	0.000	1	120.3627	5.588	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	122.6500	0.000	1	122.6500	0.000	1	120.3627	5.588	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H){2|Br<1>,1|C<4>,1|N<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Br<1>,1|N<3>,3|C<3>}	126.4350	0.000	1	126.4350	0.000	1	126.1695	0.141	2	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si){2|Br<1>,1|C<4>,1|N<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Br<1>,1|N<3>,3|C<3>}	125.9040	0.000	1	125.9040	0.000	1	126.1695	0.141	2	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2){1|Fe<8>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	120.8200	0.000	1	120.8200	0.000	1	120.7975	0.001	2	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.7750	0.000	1	120.7750	0.000	1	120.7975	0.001	2	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]C){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.8886	0.502	5	120.8886	0.252	5	120.9630	0.562	13	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.2300	0.000	1	121.2300	0.000	1	120.9630	0.562	13	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.7750	0.000	1	121.7750	0.000	1	120.9630	0.562	13	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|C<4>,1|N<3>}	119.0450	0.000	1	119.0450	0.000	1	120.9630	0.562	13	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	122.0630	0.000	1	122.0630	0.000	1	120.9630	0.562	13	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|W<6>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]W){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.9907	0.167	4	120.9907	0.028	4	120.9630	0.562	13	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]W)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|C<4>,1|P<3>,1|W<6>,2|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]W){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	126.1580	0.049	3	126.1580	0.002	3	126.1580	0.002	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHP){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	119.8243	0.381	3	119.8243	0.145	3	119.7113	0.148	4	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	119.3720	0.000	1	119.3720	0.000	1	119.7113	0.148	4	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.8375	0.284	4	120.8375	0.081	4	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ag)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.4105	0.411	4	121.4105	0.169	4	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.3300	0.373	2	121.2438	0.058	4	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cd<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.1575	0.064	2	121.2438	0.058	4	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.6983	0.200	3	120.6983	0.040	3	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.2470	0.099	2	120.5043	0.301	6	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.2790	0.836	2	120.5043	0.301	6	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.9870	0.310	2	120.5043	0.301	6	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.3743	0.741	4	121.3743	0.550	4	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.1590	0.000	1	121.1590	0.000	1	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	120.6575	0.672	2	120.6575	0.452	2	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	119.7154	0.217	16	120.1893	0.358	32	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.6631	0.463	16	120.1893	0.358	32	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.0400	0.010	2	120.2677	0.150	20	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.2027	0.366	7	120.2677	0.150	20	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.3505	0.428	11	120.2677	0.150	20	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.2384	0.448	12	120.2384	0.201	12	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Hg<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Hg)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.5130	0.294	2	120.5130	0.087	2	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.9115	0.436	2	121.1226	0.762	62	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	120.2433	1.582	3	121.1226	0.762	62	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.1668	0.818	53	121.1226	0.762	62	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	120.6690	0.552	2	121.1226	0.762	62	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.9340	1.442	2	121.1226	0.762	62	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	118.6730	0.000	1	118.6730	0.000	1	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CClHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CClHH){1|C<3>,1|H<1>,1|N<3>}	119.4875	0.619	2	119.4875	0.383	2	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	119.1385	0.807	2	118.7553	0.402	6	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	118.5637	0.553	4	118.7553	0.402	6	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.3574	0.730	19	120.3272	0.518	21	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.0405	0.777	2	120.3272	0.518	21	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	120.0990	0.031	2	119.9775	0.100	4	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	119.8560	0.491	2	119.9775	0.100	4	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.0688	0.574	15	121.0688	0.329	15	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.1115	0.199	2	120.8808	0.646	24	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.9508	0.803	22	120.8808	0.646	24	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	119.6875	0.238	2	119.6875	0.057	2	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHHP)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	119.8770	0.061	2	119.8770	0.004	2	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.0762	0.350	6	120.9469	0.150	8	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.5590	0.182	2	120.9469	0.150	8	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.7077	0.295	6	121.5315	0.234	11	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.3202	0.612	5	121.5315	0.234	11	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	119.6415	0.340	2	120.2912	0.231	26	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.4265	0.462	19	120.2912	0.231	26	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	119.8695	0.142	2	120.2912	0.231	26	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.0300	0.314	2	120.2912	0.231	26	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.3870	0.000	1	120.2912	0.231	26	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|C<4>,1|N<3>}	118.4270	0.000	1	118.4270	0.000	1	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.5572	0.709	8	120.3687	0.829	26	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.2849	0.994	18	120.3687	0.829	26	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.7200	0.806	6	120.7200	0.649	6	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.7112	0.207	4	120.7112	0.043	4	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	119.8810	0.233	2	120.7737	0.219	50	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.7892	0.352	40	120.7737	0.219	50	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.9190	0.764	8	120.7737	0.219	50	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.9217	1.014	15	120.9217	1.029	15	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	120.1280	0.439	5	120.1280	0.193	5	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	119.7640	1.165	28	120.9159	1.091	174	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.1672	0.696	75	120.9159	1.091	174	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	120.6436	0.568	5	120.9159	1.091	174	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.2654	0.736	10	120.9159	1.091	174	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	118.9410	0.270	2	120.9159	1.091	174	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.1979	1.014	54	120.9159	1.091	174	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	119.9433	0.356	4	119.9433	0.127	4	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.4719	0.717	15	120.4194	0.440	20	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.2618	0.495	5	120.4194	0.440	20	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	119.3145	0.120	2	119.3145	0.014	2	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.0841	0.393	15	121.0841	0.154	15	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.4435	0.012	2	120.6952	0.510	28	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.7146	0.739	26	120.6952	0.510	28	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	119.3310	0.819	2	119.3310	0.670	2	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	120.9410	0.000	1	120.9410	0.000	1	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHHP)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	120.0815	0.035	2	120.0815	0.001	2	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CN[5a]HH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CN[5a]HH){1|C<3>,1|H<1>,1|N<3>}	119.3280	0.000	1	119.3280	0.000	1	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.7664	0.433	17	120.7664	0.187	17	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.5105	0.094	2	120.5192	0.004	4	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.5280	0.044	2	120.5192	0.004	4	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	120.6855	0.281	2	121.1032	0.407	26	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.1380	0.650	24	121.1032	0.407	26	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.8288	1.564	27	120.8117	2.140	31	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.4185	0.339	2	120.8117	2.140	31	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.9740	0.286	2	120.8117	2.140	31	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHOO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CHOO){1|C<3>,1|H<1>,1|N<3>}	120.0040	0.000	1	120.0040	0.000	1	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Sn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.6310	0.430	2	120.6310	0.185	2	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.5225	0.084	2	120.6097	0.428	14	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.6243	0.710	12	120.6097	0.428	14	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.9900	0.000	1	120.4794	0.095	5	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.6410	0.272	2	120.4794	0.095	5	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.5625	0.011	2	120.4794	0.095	5	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	119.5815	0.098	2	119.5815	0.010	2	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CN[5]HH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|C<3>}	119.1085	2.294	8	119.1085	5.260	8	120.6985	0.864	744	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(PO3){1|C<3>,1|H<1>,1|N<3>}	119.5724	0.067	5	119.5724	0.004	5	119.5370	0.303	9	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(PO3){1|C<3>,1|H<1>,1|N<3>}	119.4928	0.893	4	119.4928	0.797	4	119.5370	0.303	9	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	121.1780	0.000	1	121.1780	0.000	1	120.7742	0.081	49	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	120.7581	0.272	46	120.7658	0.079	48	120.7742	0.081	49	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|N<3>}	120.9445	0.565	2	120.7658	0.079	48	120.7742	0.081	49	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(P[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Mn<5>,1|C<4>,1|P<3>,2|C<3>}	C[6](C[6]C[6]P[6])(P[6]C[6]Mn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	125.5900	0.117	2	125.5900	0.014	2	126.6870	1.293	8	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(P[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Sm<12>,1|C<4>,1|P<3>,2|C<3>}	C[6](C[6]C[6]P[6])(P[6]C[6]Sm)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	128.4150	0.000	1	128.1780	0.112	2	126.6870	1.293	8	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(P[6]C[6]Sm)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Sm<12>,1|P<3>,3|C<3>}	C[6](C[6]C[6]P[6])(P[6]C[6]Sm)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	127.9410	0.000	1	128.1780	0.112	2	126.6870	1.293	8	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(P[6]C[6]Tm)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Tm<12>,1|C<4>,1|P<3>,2|C<3>}	C[6](C[6]C[6]P[6])(P[6]C[6]Tm)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	126.8480	0.519	2	126.8480	0.269	2	126.6870	1.293	8	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(P[6]C[6]Yb)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Yb<12>,1|C<4>,1|P<3>,2|C<3>}	C[6](C[6]C[6]P[6])(P[6]C[6]Yb)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	126.1320	1.065	2	126.1320	1.134	2	126.6870	1.293	8	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CF3){1|H<1>,2|C<3>}	122.4290	0.000	1	122.4290	0.000	1	122.5663	0.020	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	122.6350	0.110	2	122.6350	0.012	2	122.5663	0.020	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|O<1>,3|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	122.9402	0.191	6	122.9402	0.037	6	122.3946	0.789	9	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.5910	0.000	1	120.5910	0.000	1	122.3946	0.789	9	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	121.6595	0.111	2	121.6595	0.012	2	122.3946	0.789	9	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	120.2780	0.000	1	120.2780	0.000	1	120.7248	0.310	22	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){3|C<3>}	120.7060	0.427	12	120.7060	0.182	12	120.7248	0.310	22	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<4>,2|C<3>}	120.0800	0.334	2	120.0800	0.111	2	120.7248	0.310	22	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Mo<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<4>,2|C<3>}	121.1312	0.726	5	121.1312	0.527	5	120.7248	0.310	22	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	121.1530	0.000	1	121.1530	0.000	1	120.7248	0.310	22	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Zn<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	120.2270	0.000	1	120.2270	0.000	1	120.7248	0.310	22	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	P[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]P[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](P[6]C[6]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]P[6]C)(H){1|Mn<5>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](P[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	125.1330	0.218	2	125.1330	0.047	2	125.1330	0.047	2	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.7250	0.542	5	121.7250	0.293	5	121.2517	0.590	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	121.8440	0.000	1	121.8440	0.000	1	121.2517	0.590	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.5757	0.391	6	121.5757	0.153	6	121.2517	0.590	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.6326	0.480	5	120.8107	0.418	7	121.2517	0.590	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>}	121.2560	1.015	2	120.8107	0.418	7	121.2517	0.590	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	119.4370	0.000	1	119.4370	0.000	1	121.2517	0.590	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]Ir)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Ir<6>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]Ir)(C[6]C[6]H){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	122.5350	1.188	2	122.5350	1.411	2	122.5717	0.710	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]Pt)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Pt<4>,4|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6,6a]Pt)(C[6]C[6]H){1|C<4>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	122.6450	0.000	1	122.6450	0.000	1	122.5717	0.710	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	122.3347	0.320	4	122.3347	0.102	4	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	122.0930	0.000	1	122.5775	0.469	2	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	123.0620	0.000	1	122.5775	0.469	2	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	123.0440	0.000	1	122.4105	0.803	2	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a,6a]C[6a])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.7770	0.000	1	122.4105	0.803	2	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	119.9520	0.747	2	119.9520	0.558	2	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	120.9775	0.265	2	121.6101	0.692	23	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.8140	0.535	2	121.6101	0.692	23	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	121.9395	0.272	10	121.6101	0.692	23	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	118.6370	0.000	1	121.6101	0.692	23	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	120.7450	0.873	2	121.6101	0.692	23	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<7>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	121.8675	0.088	2	121.6101	0.692	23	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	122.0480	0.271	4	121.6101	0.692	23	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	119.7232	0.691	10	119.7232	0.477	10	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|O<2>,2|N<2>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.1687	0.825	3	121.1131	0.635	28	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|F<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.1360	2.568	2	121.1131	0.635	28	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|F<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.0525	0.552	11	121.1131	0.635	28	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.1802	0.691	5	121.1131	0.635	28	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.2816	0.556	5	121.1131	0.635	28	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.7505	0.238	2	121.1131	0.635	28	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,4|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	120.0530	0.000	1	120.0530	0.000	1	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	120.5145	0.497	2	120.8823	0.529	3	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pd<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.6180	0.000	1	120.8823	0.529	3	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	120.6556	0.419	8	120.6556	0.176	8	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	121.7143	0.910	4	121.7143	0.829	4	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	121.2125	0.234	2	121.2125	0.055	2	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.8275	0.312	2	120.8275	0.097	2	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.4360	0.000	1	120.4360	0.000	1	121.1301	0.990	92	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](N[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](N[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	119.5750	0.000	1	119.5750	0.000	1	119.5750	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](N[5]C[5,6a]C[5])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	119.1685	0.081	2	119.1685	0.007	2	117.4947	0.678	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){3|N<3>}	117.7132	0.199	6	117.7132	0.040	6	117.4947	0.678	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(CHHO){3|N<3>}	117.1065	0.673	12	117.1065	0.453	12	117.4947	0.678	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a]Rh)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(SC[6a]Rh){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|N<3>,1|S<3>}	121.0700	0.000	1	121.0700	0.000	1	121.0700	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Re)(C[5]N[5]2)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.6550	0.000	1	120.6550	0.000	1	120.6550	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCN){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	120.5720	0.273	4	120.5720	0.074	4	120.6991	0.207	19	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	120.9429	0.209	12	120.9429	0.044	12	120.6991	0.207	19	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	120.2700	0.000	1	120.2700	0.000	1	120.6991	0.207	19	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	119.4910	0.000	1	119.4910	0.000	1	120.6991	0.207	19	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.9190	0.000	1	119.9190	0.000	1	120.6991	0.207	19	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,3|C<3>}	129.3230	0.000	1	129.6767	0.538	4	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<2>,2|N<3>,3|C<3>}	130.7720	0.000	1	129.6767	0.538	4	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|O<1>,4|C<3>}	129.3060	0.115	2	129.6767	0.538	4	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<2>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|N<3>,3|C<3>}	127.5100	0.000	1	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|C<4>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<1>,2|N<3>,3|C<3>}	127.9865	0.056	2	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|F<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|F<1>,1|N<3>,4|C<3>}	128.6020	0.000	1	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,1|O<2>,3|C<3>}	127.9207	0.222	3	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,4|C<3>}	127.8340	0.040	3	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|H<1>,2|N<3>,3|C<3>}	128.6770	0.461	2	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|N<3>,2|P<3>,3|C<3>}	129.0920	0.000	1	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|O<1>,2|N<3>,3|C<3>}	128.9710	0.000	1	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	129.1140	0.000	1	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,1|P<3>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|P<3>,2|N<3>,3|C<3>}	129.2190	0.000	1	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|C<3>,3|N<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){3|C<3>,3|N<3>}	127.8290	0.000	1	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|N<3>,4|C<3>}	128.1645	0.006	2	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,1|P<3>,3|C<3>}	129.1820	0.000	1	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|N<3>,3|C<3>}	129.0940	0.000	1	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Si<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Si<4>,1|N<3>,1|O<2>,3|C<3>}	129.0200	0.000	1	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Br<1>,1|N<3>,3|C<3>}	128.7485	0.060	2	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|N<3>,3|C<3>}	129.4750	0.000	1	128.4610	0.354	25	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH)	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,2|O<2>,3|C<3>}	C[6](N[6]Si[3,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|O<2>,4|C<3>}	128.3440	0.000	1	128.3440	0.000	1	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|O<2>,2|N<3>,3|C<3>}	128.7440	0.133	2	128.5447	0.128	3	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|C<4>,2|N<3>,3|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){2|N<3>,4|C<3>}	128.1460	0.000	1	128.5447	0.128	3	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(CHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]H)(CHH){1|Br<2>,1|Li<5>,1|C<3>,1|N<3>,1|N<4>,2|C<4>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<2>,1|Li<5>,1|N<3>,1|N<4>,3|C<3>}	129.0310	0.000	1	129.0310	0.000	1	128.6247	0.477	34	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C)(C[6]C[6]N[6])(H){1|Pt<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]N[6])(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	119.2130	0.000	1	119.2130	0.000	1	119.2130	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]2)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	119.4370	0.000	1	119.4370	0.000	1	119.4370	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|N<3>}	120.4195	0.424	2	120.4195	0.179	2	120.3159	0.317	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCoC)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCoC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	119.9900	0.708	6	119.9900	0.501	6	120.3159	0.317	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	120.9010	0.000	1	120.9010	0.000	1	120.3159	0.317	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	120.2780	0.126	2	120.2780	0.016	2	120.3159	0.317	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	120.0260	0.163	4	120.0260	0.027	4	120.3159	0.317	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	121.3360	0.000	1	121.3360	0.000	1	120.3159	0.317	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(NC[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	120.4400	0.062	2	120.4400	0.004	2	120.3159	0.317	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRuH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRuH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	120.8810	0.440	2	120.8810	0.193	2	120.3159	0.317	20	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	119.0610	0.000	1	119.0610	0.000	1	119.0817	0.001	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	119.1260	0.000	1	119.1260	0.000	1	119.0817	0.001	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	119.0580	0.000	1	119.0580	0.000	1	119.0817	0.001	3	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Cu<4>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	122.4260	0.267	2	122.4260	0.071	2	122.2594	0.110	5	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Ir<6>,4|C<3>}	C[6](N[6]C[6,6a]Ir)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	121.9340	0.042	2	121.9340	0.002	2	122.2594	0.110	5	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H)	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(H){1|Pt<4>,4|C<3>}	C[6](N[6]C[6,6a]Pt)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	122.5770	0.000	1	122.5770	0.000	1	122.2594	0.110	5	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Ir<6>,1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(CF3){1|Ir<6>,1|C<3>,1|N<3>}	119.6550	0.000	1	119.6550	0.000	1	119.6550	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H)	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(H){1|B<4>,4|C<3>}	C[6](N[6]C[6a]B[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|F<1>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|N<3>,2|F<1>,3|C<3>}	122.9880	0.000	1	122.9880	0.000	1	122.9880	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]C[6]C)(O)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	116.1850	0.000	1	116.1850	0.000	1	116.1850	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|O<2>,2|C<3>}	122.0590	0.000	1	122.0590	0.000	1	122.0590	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(O)	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(O){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[5a]C[5a]N[5a])(N[6]C[6]Pd)(C[6]C[6]O){1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6,6a]C)(C[6]C[6]Si)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(SiC[6a]3)	C[6](C[6]C[6,6a]C)(C[6]C[6]Si)(O){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CHN){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(SiC[6a]3){3|C<3>}	118.7460	0.000	1	118.7460	0.000	1	118.7460	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CC[6a]2O)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CC[6a]2O){3|C<3>}	122.0065	0.398	2	122.0065	0.158	2	121.8015	0.273	4	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CHHS)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6])(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,6|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CHHS){3|C<3>}	121.5965	0.701	2	121.5965	0.491	2	121.8015	0.273	4	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O){1|C<4>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	120.5215	0.241	2	120.5215	0.058	2	120.5215	0.058	2	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,2|C<3>}	121.9440	0.000	1	121.9440	0.000	1	120.3120	2.241	6	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]O)2(CCCH)	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]O)2(CCCH){1|O<1>,2|C<3>}	120.7057	0.801	3	120.7057	0.642	3	120.3120	2.241	6	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO){1|N<3>,2|C<3>}	117.7150	0.000	1	117.7150	0.000	1	120.3120	2.241	6	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){3|C<3>}	120.0960	0.000	1	120.0960	0.000	1	120.3120	2.241	6	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH)	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|O<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]O)2(CCHH){1|C<3>,1|N<3>,1|O<1>}	121.3020	0.000	1	121.3020	0.000	1	119.5495	2.780	4	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]O)2(CC[6a]CC)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]O)2(CC[6a]CC){1|C<3>,2|N<3>}	118.1245	0.057	2	118.1245	0.003	2	119.5495	2.780	4	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(NBaO)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(NBaO){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|N<2>,1|N<3>}	120.6470	0.000	1	120.6470	0.000	1	119.5495	2.780	4	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]N)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(SO3)	C[6](C[6]C[6]N)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN){1|C<3>,1|N<3>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SO3){1|C<3>,2|N<3>}	115.2760	0.000	1	115.2760	0.000	1	115.2760	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[5]C[5]2)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O){2|Cl<1>,1|C<3>,2|C<4>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	120.5270	0.000	1	120.5270	0.000	1	117.4015	19.538	2	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2){1|Fe<8>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	114.2760	0.000	1	114.2760	0.000	1	117.4015	19.538	2	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	N[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O)	C[6](N[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](N[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	114.8120	0.000	1	114.8120	0.000	1	114.8120	0.000	1	121.1276	3.366	1254	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:S[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]S[6])(H)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(S[6]O[6]OO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]S[6])(H){1|O<2>,2|O<1>,5|C<3>}	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H){1|S<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(S[6]O[6]OO)(C[6]C[6]H){2|H<1>,4|C<3>}	126.4330	0.000	1	126.4330	0.000	1	126.4330	0.000	1	123.9575	12.256	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	3:4:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Al<5>,1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Al)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,2|H<1>,4|C<3>}	121.4820	0.000	1	121.4820	0.000	1	121.4820	0.000	1	123.9575	12.256	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(Br)	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH)	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]Br)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(Br){1|Pd<7>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH){1|Pd<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]Br)(H){2|C<3>,3|C<4>}	124.0640	0.201	2	124.0640	0.040	2	124.0640	0.040	2	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(Br)	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(N[6]C[6]C)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(Br){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Br)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.9240	0.000	1	123.9240	0.000	1	123.9240	0.000	1	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]P[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]P[5])(C[6a]C[6a]2)(C[6]C[6]H){1|Pd<4>,1|H<1>,2|C<3>,3|C<4>,3|O<2>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|O<2>,2|C<3>}	123.7040	0.000	1	123.7040	0.000	1	123.7040	0.000	1	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]O[6]O){1|H<1>,3|C<4>}	C[6](C[6]C[6a]O[6]H)(C[6]C[6]H)(H){4|C<3>}	122.3795	0.192	2	122.3795	0.037	2	122.3795	0.037	2	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[5,6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH)	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]C[5,6]H)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]2C[6,6a])(C[6]C[6]H)(H){7|C<3>}	123.0300	0.000	1	123.0300	0.000	1	123.0300	0.000	1	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(CC[6a]Pd)	C[6](C[6]C[6]BH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(CC[6a]Pd){1|C<4>,2|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	122.2730	0.000	1	122.2730	0.000	1	121.0350	1.150	3	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.4160	0.025	2	120.4160	0.001	2	121.0350	1.150	3	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	122.3690	0.000	1	122.3690	0.000	1	122.3690	0.000	1	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]N[5,6]C[6a])(C[6]C[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]N[5,6]C[6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.6867	0.452	3	121.5915	0.173	4	121.5915	0.173	4	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]N[5,6]C[6a])(C[6]C[6]O)(H)	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]N[5,6]C[6a])(C[6]C[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>}	121.3060	0.000	1	121.5915	0.173	4	121.5915	0.173	4	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<4>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NHP){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|N<2>,2|N<3>}	118.5290	0.008	2	118.5290	0.000	2	118.5290	0.000	2	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H)	C[6](N[6]C[5,6]Co)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H){1|Ru<10>,1|Co<4>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]Co)(C[6a]C[6a]2)(C[6]C[6]H){1|Ru<10>,1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.6917	0.875	4	122.6917	0.766	4	122.3869	0.723	8	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H)	C[6](N[6]C[5,6]Cu)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H){1|Ru<10>,1|Cu<2>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]Cu)(C[6a]C[6a]2)(C[6]C[6]H){1|Ru<10>,1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	121.4410	0.557	2	121.4410	0.310	2	122.3869	0.723	8	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H)	C[6](N[6]C[5,6]Fe)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[5,6]H)(H){1|Ru<10>,1|Fe<4>,2|C<3>,2|C<4>}	C[6](N[6]C[5,6]Fe)(C[6a]C[6a]2)(C[6]C[6]H){1|Ru<10>,1|H<1>,2|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	122.7230	0.252	2	122.7230	0.063	2	122.3869	0.723	8	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	123.2770	0.000	1	123.2770	0.000	1	123.2770	0.000	1	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:I-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(I)	C[6](C[6a]C[6a]2)(C[6]C[6]I)(N[6]C[6]C)	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(I){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]I)(N[6]C[6]C){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.9590	0.404	2	122.9590	0.164	2	122.9590	0.164	2	122.1690	2.080	28	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	P[6]-4:C[6]-3:C-2:	C[6](C[6]C[6,6a]C[6a])(C[6]P[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CN)	C[6](C[6]C[6,6a]C[6a])(C[6]P[6]C)(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<2>,1|P<4>,3|H<1>,4|C<3>}	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CN){7|C<3>}	126.8820	0.000	1	126.8820	0.000	1	126.8820	0.000	1	124.6215	10.220	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN){1|N<3>,3|C<3>}	122.3610	0.000	1	122.3610	0.000	1	122.3610	0.000	1	124.6215	10.220	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[5,6]C)(C[6]C[6]N)(H)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(CC[6a]O)	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO)	C[6](C[6]C[5,6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(CC[6a]O){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]N[5,6]C[6a]H)(C[6]C[6]H)(NOO){1|C<4>,4|C<3>}	122.4860	0.000	1	122.4860	0.000	1	122.4860	0.000	1	121.2264	6.027	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(CCC)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]H)(CCC){5|C<3>}	124.9830	0.000	1	124.9830	0.000	1	124.9830	0.000	1	121.2264	6.027	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6a]-3:C[6]-3:	P[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]C[6a])(C[6]P[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]C[6a])(C[6]P[6]C)(H){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|H<1>,5|C<3>}	C[6](P[6]C[6,6a]C[6a]2)(C[6]C[6]H)(CC[6a]O){7|C<3>}	128.4380	0.000	1	128.4380	0.000	1	128.4380	0.000	1	121.2264	6.027	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O)	C[6](C[6]N[6]CO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O){1|C<3>,2|C<4>}	C[6](C[6]N[6]CO)(C[6]C[6]H)(COO){1|C<4>,2|C<3>}	123.5490	0.000	1	123.5490	0.000	1	121.8830	3.224	3	121.2264	6.027	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CC[6a]O)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CC[6a]O){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]O){1|S<4>,2|C<3>}	119.9810	0.000	1	119.9810	0.000	1	121.8830	3.224	3	121.2264	6.027	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(COO)	C[6](C[6]N[6]CH)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(COO){1|C<4>,4|C<3>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(COO){3|C<3>}	122.1190	0.000	1	122.1190	0.000	1	121.8830	3.224	3	121.2264	6.027	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(NCH){2|C<3>,2|H<1>}	120.8670	0.000	1	120.8670	0.000	1	120.8670	0.000	1	121.2264	6.027	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Cu<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.0690	0.414	2	120.0168	0.070	4	119.8426	0.189	10	121.2264	6.027	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Cu<6>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.9645	0.166	2	120.0168	0.070	4	119.8426	0.189	10	121.2264	6.027	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Ir<6>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.4460	0.518	2	119.4460	0.268	2	119.8426	0.189	10	121.2264	6.027	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Pt<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	120.3035	0.069	2	120.3035	0.005	2	119.8426	0.189	10	121.2264	6.027	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[5]-4:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Zn<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	119.4300	0.136	2	119.4300	0.018	2	119.8426	0.189	10	121.2264	6.027	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:3:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|U<10>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO){1|C<4>,2|C<3>}	122.5340	0.907	4	122.5340	0.822	4	122.5340	0.822	4	122.5340	0.822	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHHN)	C[6](C[6]C[6,6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHHN){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a])(C[6]C[6]H)(H){1|C<4>,2|C<3>}	122.0480	0.000	1	122.0480	0.000	1	122.0480	0.000	1	122.5685	0.542	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:S-1:	C[6](C[6]C[6,6a]C)(C[6]O[6]S)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](O[6]C[6,6a])(C[6]C[6]H)(S)	C[6](C[6]C[6,6a]C)(C[6]O[6]S)(H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,1|S<1>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]H)(S){1|C<4>,2|C<3>}	123.0890	0.000	1	123.0890	0.000	1	123.0890	0.000	1	122.5685	0.542	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH)	C[6](N[6]C[5,6])(C[6]C[6]H)(CCHH)	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H){1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(CCHH){1|C<4>,2|N<3>}	121.1250	0.000	1	121.1250	0.000	1	120.9243	0.755	17	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH)	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H){1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>}	121.7975	0.104	2	121.7975	0.011	2	120.9243	0.755	17	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]C)(C[6]N[6]C)(H){1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>}	120.7852	0.887	14	120.7852	0.788	14	120.9243	0.755	17	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]Ga[3x5,6,6]C[5])(C[6]C[6]H)(CH3)	C[6](O[6]Ga[3x5,6,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Ga<6>,1|C<4>}	C[6](N[5,6]Ga[3x5,6,6]C[5])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,2|N<4>,2|O<2>}	C[6](O[6]Ga[3x5,6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<3>,2|N<4>}	127.1350	0.000	1	127.1350	0.000	1	126.2242	10.073	14	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|In<5>,1|C<4>}	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	129.7075	0.378	2	129.4822	0.135	6	126.2242	10.073	14	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|In<6>,1|C<4>}	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,1|O<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,1|O<3>,2|N<3>}	129.5580	0.208	2	129.4822	0.135	6	126.2242	10.073	14	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3)	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|In<6>,1|C<4>}	C[6](N[5,6]In[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,3|O<2>}	C[6](O[6]In[5,6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,2|N<3>,2|O<2>}	129.1810	0.443	2	129.4822	0.135	6	126.2242	10.073	14	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6]C[6]H)(CH3)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<3>}	C[6](N[5,6]Si[5,6,6]C[5,6a])(C[6]C[6]H)(CH3){1|C<4>,1|S<2>,3|C<3>,3|O<2>}	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|S<2>,2|O<2>}	124.0247	0.886	3	124.0247	0.786	3	126.2242	10.073	14	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]Si[5,6,6]C[5])(C[6]C[6]H)(CH3)	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<4>}	C[6](N[5,6]Si[5,6,6]C[5])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,2|H<1>,2|N<2>,2|O<2>}	C[6](O[6]Si[5,6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	123.8670	0.000	1	123.8670	0.000	1	126.2242	10.073	14	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]Si[5,6]C[5])(C[6]C[6]H)(CH3)	C[6](O[6]Si[5,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Si<5>,1|C<4>}	C[6](N[5,6]Si[5,6]C[5])(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|O<2>,4|C<4>}	C[6](O[6]Si[5,6])(C[6]C[6]H)(CH3){1|N<3>,1|O<2>,3|C<4>}	122.3900	0.055	3	122.3900	0.003	3	126.2242	10.073	14	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(CH3)	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){2|C<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|N<2>}	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	120.3960	3.011	2	120.3960	9.065	2	120.8033	5.030	3	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3)	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](N[6]C[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>}	121.6180	0.000	1	121.6180	0.000	1	120.8033	5.030	3	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H)	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]H)(CH3)	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H){1|Ga<5>,1|C<4>}	C[6](N[6,6]Ga[3x6]C[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	125.2995	1.245	2	125.2995	1.551	2	127.5267	3.817	6	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H)	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]H)(CH3)	C[6](O[6]In[3x6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]C)(C[6]O[6]C)(H){1|In<5>,1|C<4>}	C[6](N[6,6]In[3x6]C[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<4>,2|H<1>,2|O<2>}	C[6](O[6]In[3x6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	128.6403	0.941	4	128.6403	0.885	4	127.5267	3.817	6	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6]H)(C[6]C[6]H)(CC3)	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H){1|Nb<7>,1|H<1>}	C[6](N[6]Nb[3,3,6]H)(C[6]C[6]H)(CC3){1|Cl<1>,1|C<4>,1|N<2>,4|N<3>}	C[6](N[6]Nb[3,3,6])(C[6]C[6]H)(CC3){1|Cl<1>,1|C<4>,5|N<3>}	121.8190	0.000	1	121.8190	0.000	1	121.8190	0.000	1	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]Ga[3x6]C)(C[6]C[6]H)(CH3)	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<6>,1|C<4>}	C[6](N[6]Ga[3x6]C)(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|O<2>}	C[6](O[6]Ga[3x6])(C[6]C[6]H)(CH3){1|C<4>,2|O<2>,3|N<3>}	125.7073	0.565	3	125.7073	0.320	3	124.5947	3.370	11	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3)	C[6](O[6]Ga[6,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<5>,1|C<4>}	C[6](N[6]Ga[6,6]C)(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|O<2>}	C[6](O[6]Ga[6,6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|N<3>}	126.5483	0.597	3	126.5483	0.356	3	124.5947	3.370	11	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3)	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<4>}	C[6](N[6]Si[6,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,2|O<2>}	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	122.7617	0.364	3	122.7617	0.133	3	124.5947	3.370	11	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:C-4:	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3)	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Si<6>,1|C<3>}	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>,2|O<2>}	C[6](O[6]Si[6,6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<2>,2|N<3>}	122.7450	0.044	2	122.7450	0.002	2	124.5947	3.370	11	123.8997	10.772	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	119.7790	0.000	1	119.7790	0.000	1	121.0720	0.780	4	119.4614	2.417	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	121.6530	0.000	1	121.6530	0.000	1	121.0720	0.780	4	119.4614	2.417	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	121.6230	0.000	1	121.6230	0.000	1	121.0720	0.780	4	119.4614	2.417	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,2|C<4>}	121.2330	0.000	1	121.2330	0.000	1	121.0720	0.780	4	119.4614	2.417	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:O-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]N[6])(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH){1|N<2>,1|O<1>}	C[6](C[6]C[6]H)(N[6]N[6])(O){1|C<3>,1|C<4>}	120.9000	0.000	1	120.9000	0.000	1	120.9000	0.000	1	119.4614	2.417	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<4>,2|N<3>}	117.9833	0.487	3	117.9833	0.237	3	117.9833	0.237	3	119.4614	2.417	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6]N[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]N[6]C)(C[6]O[6]O)(H){1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<4>,1|N<3>,2|C<3>}	119.4710	0.000	1	119.4710	0.000	1	119.4710	0.000	1	119.4614	2.417	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>}	119.0320	0.000	1	119.0320	0.000	1	119.0320	0.000	1	119.4614	2.417	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>}	117.9480	0.093	2	117.9480	0.009	2	117.9480	0.009	2	119.4614	2.417	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:O-2:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6])(OH)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6])(OH){1|C<4>,2|N<3>}	118.4540	0.064	2	118.4540	0.004	2	117.8432	0.619	9	117.7893	0.579	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:O-2:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(OC)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6])(OC){1|C<4>,2|N<3>}	117.5538	0.829	6	117.5538	0.687	6	117.8432	0.619	9	117.7893	0.579	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:O-2:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(OH)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<2>,1|O<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(OH){1|C<4>,1|N<3>,1|S<2>}	118.3580	0.000	1	118.3580	0.000	1	117.8432	0.619	9	117.7893	0.579	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:O-2:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(OC)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|Mn<9>,1|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6])(OC){1|C<4>,2|N<3>}	117.3040	0.000	1	117.3040	0.000	1	117.3040	0.000	1	117.7893	0.579	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl)	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]Cl)(N[6]C[6])(NHH)	C[6](C[6]N[6]C)(C[6]N[6]N)(Cl){1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]Cl)(N[6]C[6])(NHH){1|N<3>,2|C<4>}	119.6055	0.104	2	119.6055	0.011	2	119.6055	0.011	2	120.3320	1.467	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]C)(H){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	122.1260	0.000	1	122.1260	0.000	1	122.1260	0.000	1	120.3320	1.467	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH)	C[6](C[6]C[6]H)(N[6]N[6])(CN[6]O)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(CN[6]O){1|C<3>,1|C<4>,1|H<1>}	119.9910	0.000	1	119.9910	0.000	1	119.9910	0.000	1	120.3320	1.467	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<2>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	123.7690	0.000	1	123.7690	0.000	1	123.7690	0.000	1	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|B<4>,1|C<3>,1|C<4>}	119.3740	1.175	2	120.7924	0.756	19	120.7924	0.756	19	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|B<4>,1|C<3>,1|C<4>}	120.7183	0.545	13	120.7924	0.756	19	120.7924	0.756	19	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]H)(N[6]N[6])(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]N[6])(CC3){1|C<3>,1|C<4>,1|H<1>}	121.7425	0.567	4	120.7924	0.756	19	120.7924	0.756	19	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	118.6874	0.454	33	118.6894	0.240	39	118.6894	0.240	39	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<1>}	119.0330	0.000	1	118.6894	0.240	39	118.6894	0.240	39	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	118.6342	0.776	5	118.6894	0.240	39	118.6894	0.240	39	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|Ag<5>,1|C<3>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<3>}	118.7910	0.000	1	118.7910	0.000	1	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|Cd<6>,1|C<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	118.7940	0.000	1	119.2370	0.297	3	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|Cd<6>,1|C<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<3>}	119.4585	0.548	2	119.2370	0.297	3	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|Co<6>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,2|N<3>}	118.9705	0.476	2	118.9705	0.226	2	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|Cu<4>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|H<1>,1|N<3>}	119.2340	0.000	1	119.3690	0.036	2	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|Cu<6>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|Cu<6>,1|C<4>,2|N<3>}	119.5040	0.000	1	119.3690	0.036	2	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CF3)	C[6](C[6]C[6]H)(N[6]C[6])(CF3)	C[6](C[6]N[6]C)2(H){1|Fe<6>,1|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CF3){1|C<3>,1|C<4>,1|N<3>}	119.4580	0.000	1	119.4580	0.000	1	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|Ir<6>,1|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<3>,1|C<4>,1|N<3>}	120.2565	1.323	2	120.2565	1.750	2	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|Mn<6>,1|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	118.5180	0.000	1	118.5180	0.000	1	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|Ni<6>,1|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	118.2850	0.386	4	118.2850	0.149	4	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|N<2>,2|C<4>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|N<3>,2|C<4>}	120.0592	0.221	5	120.0592	0.049	5	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){1|Sn<5>,1|C<3>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<2>}	118.9920	0.000	1	118.9920	0.000	1	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6])(CH3)	C[6](C[6]N[6]C)2(H){2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6])(CH3){1|C<4>,1|N<3>,1|S<1>}	119.3890	0.000	1	119.3890	0.000	1	119.2820	0.605	23	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ge<3>,1|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]H)(O[6]Ge[6])(CH3){1|Cl<1>,1|C<4>,1|N<3>}	125.8720	0.000	1	125.8720	0.000	1	127.3647	1.683	3	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<4>,1|C<4>}	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|N<3>}	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3){1|C<4>,3|N<3>}	128.0020	0.000	1	128.1110	0.024	2	127.3647	1.683	3	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]O[6]C)(H)	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(H){1|Ga<4>,1|C<4>}	C[6](N[6]Ga[6]C)(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(O[6]Ga[6])(CH3){2|Cl<1>,1|C<4>,1|N<3>}	128.2200	0.000	1	128.1110	0.024	2	127.3647	1.683	3	119.6858	3.556	85	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<3>,1|C<4>}	124.2310	0.000	1	124.2310	0.000	1	124.1215	0.024	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<3>,1|C<4>}	124.0120	0.000	1	124.0120	0.000	1	124.1215	0.024	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]Br)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(Br){1|C<3>,2|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(O){1|C<4>,2|N<3>}	121.4960	0.000	1	121.4960	0.000	1	121.4960	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	122.0005	0.144	2	122.0005	0.021	2	122.0005	0.021	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|C<3>,1|C<4>,1|N<3>}	123.4340	0.000	1	123.4340	0.000	1	123.4340	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(SO3)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(SO3){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)2(O){1|Cl<1>,1|C<3>,1|S<4>}	122.2775	0.992	2	122.2775	0.984	2	122.2775	0.984	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]C)(C[6]C[5a,6]H)(H)	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3)	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C)(C[6]C[5a,6]H)(H){1|C<3>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,5a,6]C[5a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C[6](C[5a,6]N[5a,5a,6]N[5a])(C[6]C[6]H)(H){1|C<4>,3|C<3>}	125.3770	0.000	1	125.3770	0.000	1	125.3770	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CF3)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CF3){1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.2130	0.000	1	120.2130	0.000	1	121.4730	3.175	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H)	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	122.7330	0.000	1	122.7330	0.000	1	121.4730	3.175	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>}	121.8430	0.000	1	121.8430	0.000	1	121.8430	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]H)(CH3){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>}	120.9950	0.000	1	120.9950	0.000	1	120.8600	0.036	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.7250	0.000	1	120.7250	0.000	1	120.8600	0.036	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[5a,6]H)(H)	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[5a,6]H)(H){1|B<4>,2|C<3>}	C[6](C[6,6a]C[5a,6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[5a,6]C[5a,6,6a]B[5a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	121.4755	0.472	2	121.4755	0.222	2	121.4755	0.222	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Cd<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.6345	0.790	2	120.6345	0.624	2	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	121.2505	0.081	2	121.2505	0.007	2	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Cr<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cr)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.3705	0.489	2	120.3705	0.239	2	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.9120	0.758	2	120.9120	0.575	2	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.8710	0.109	2	120.8710	0.012	2	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	118.6360	0.000	1	118.6360	0.000	1	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.6345	0.190	2	120.6345	0.036	2	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	121.8090	0.000	1	121.8090	0.000	1	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Os<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Os)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.3040	0.000	1	120.3040	0.000	1	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	121.6770	0.204	3	121.6770	0.042	3	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Zn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.7995	0.022	2	120.7995	0.000	2	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHOO)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CHOO){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.2920	0.000	1	120.2920	0.000	1	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.0080	0.000	1	120.0080	0.000	1	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	121.2157	1.953	3	121.2157	3.815	3	120.8269	0.824	25	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6,6a]S)(C[6]C[6]I)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SO3)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(I)	C[6](C[6]C[6,6a]S)(C[6]C[6]I)(H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(SO3){1|H<1>,1|I<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(I){1|C<3>,1|N<2>,1|S<4>}	120.9650	0.000	1	120.9650	0.000	1	120.9650	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:As-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(AsO3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(AsO3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<4>,1|C<3>}	118.7600	0.000	1	118.7600	0.000	1	118.7600	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BN[6]CC)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(BN[6]CC){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|B<4>}	121.5480	0.494	2	121.5480	0.244	2	122.8640	2.167	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BO3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(BO3){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|B<4>,1|C<3>}	121.1860	0.000	1	121.1860	0.000	1	122.8640	2.167	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]O[6]C)(BC[6a]3)	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<4>,2|O<2>}	C[6](C[6]C[6]H)(C[6]O[6]C)(BC[6a]3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|B<4>,1|C<3>}	123.8870	0.000	1	123.8870	0.000	1	122.8640	2.167	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>}	123.1718	1.565	4	123.1718	2.449	4	122.8640	2.167	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BN[5]CO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(BN[5]CO){1|Fe<5>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Fe<5>,1|C<3>,2|B<4>}	121.7460	0.000	1	121.7460	0.000	1	122.8640	2.167	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,2|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]H)(BC[6a]3){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|B<4>,1|C<3>}	124.4510	0.291	2	124.4510	0.085	2	122.8640	2.167	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|H<1>,2|N<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]H)(H){2|C<3>,3|C<4>}	121.4120	0.000	1	121.4120	0.000	1	121.4120	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Br){1|C<3>,1|C<4>,1|H<1>}	120.2590	0.000	1	120.2590	0.000	1	120.2590	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	120.2430	0.000	1	120.2430	0.000	1	120.2430	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]C)(C[6]C[6]F)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]F)(C[6]C[6]H)(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(H){1|C<2>,2|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)(C[6]C[6]H)(F){1|C<3>,1|C<4>}	109.8450	0.000	1	109.8450	0.000	1	109.8450	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>}	124.1880	0.000	1	124.1880	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(CH3){1|Mg<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|C<4>}	120.7060	0.290	2	120.7060	0.084	2	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	120.0180	0.000	1	120.0180	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	120.7855	0.482	2	121.4548	1.590	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	120.1550	0.000	1	121.4548	1.590	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>}	122.9500	0.000	1	121.4548	1.590	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,3|C<4>}	122.5980	0.000	1	121.4548	1.590	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	122.3275	0.129	2	122.3275	0.017	2	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	121.2427	0.402	6	121.2427	0.162	6	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	121.4572	0.511	34	121.4572	0.261	34	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|O<2>}	123.7150	0.000	1	123.7150	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	121.8020	0.000	1	121.8020	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.8770	0.000	1	121.8770	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|C<4>}	122.5277	0.538	4	122.2878	0.505	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|C<4>}	121.3280	0.000	1	122.2878	0.505	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	120.8210	0.426	4	120.8580	0.142	8	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|C<4>}	120.8950	0.382	4	120.8580	0.142	8	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>}	120.6217	0.402	4	120.2449	0.219	9	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|C<4>}	119.9715	0.217	2	120.2449	0.219	9	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	120.1470	0.000	1	120.2449	0.219	9	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|C<4>}	119.8135	0.343	2	120.2449	0.219	9	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|C<4>}	120.1640	0.000	1	120.2433	0.325	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|C<4>}	120.1370	0.000	1	120.2433	0.325	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|C<4>}	119.4155	0.561	2	120.2433	0.325	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|C<4>}	120.1540	0.187	2	120.2433	0.325	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|C<4>}	119.9960	0.000	1	120.2433	0.325	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|C<4>}	120.4952	0.558	9	120.2433	0.325	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>}	119.1380	0.000	1	119.3204	0.254	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	119.1050	0.270	2	119.3204	0.254	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|C<4>}	119.0660	0.000	1	119.3204	0.254	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|C<4>}	120.1880	0.000	1	119.3204	0.254	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	117.8860	0.000	1	117.8860	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5]HH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5]HH){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|C<4>}	118.7400	0.000	1	118.7400	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|C<4>}	121.0650	1.177	2	121.0650	1.384	2	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>}	118.7180	0.000	1	118.7180	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Pd<5>,1|C<3>,1|C<4>}	118.3425	0.158	2	118.3425	0.025	2	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]N[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|As<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]As)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	118.2900	0.000	1	118.2900	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|C<4>}	120.5700	0.000	1	119.9226	0.872	14	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|C<4>}	119.1700	0.000	1	119.9226	0.872	14	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|C<4>}	117.3580	0.000	1	119.9226	0.872	14	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|C<4>}	120.5990	0.000	1	119.9226	0.872	14	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|C<4>}	120.6320	0.000	1	119.9226	0.872	14	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|C<4>}	120.0420	0.758	5	119.9226	0.872	14	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|C<4>}	120.0410	0.000	1	119.9226	0.872	14	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|C<4>}	120.5740	0.000	1	119.9226	0.872	14	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|C<4>}	119.8815	0.012	2	119.9226	0.872	14	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Al<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<3>,1|C<3>,1|C<4>}	119.5040	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|C<4>}	120.2680	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	119.3461	3.627	10	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|D<1>}	121.4120	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<2>}	120.1720	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	119.8570	0.458	8	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	119.3710	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<3>}	119.8780	0.110	2	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|C<4>}	120.4320	0.226	4	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|C<4>}	122.0287	3.017	3	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>}	120.2012	0.471	9	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|C<4>}	122.5370	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<8>,1|C<3>,1|C<4>}	122.4370	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	120.7210	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|C<4>}	119.9345	0.249	4	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|C<4>}	120.0750	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>}	120.2832	0.637	8	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	119.9470	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|C<4>}	120.2875	0.039	2	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|C<4>}	120.1815	0.837	12	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Rh<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|C<4>}	118.9310	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|C<4>}	121.2490	3.114	4	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	119.6363	1.948	4	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|C<4>}	119.9180	0.711	2	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|U<16>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|U<16>,1|C<3>,1|C<4>}	126.7260	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|C<4>}	120.0690	0.390	3	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|C<4>}	120.1180	0.000	1	120.2529	3.154	88	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	121.2020	0.000	1	120.8257	0.452	22	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|C<4>}	120.7670	0.216	2	120.8257	0.452	22	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Al<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Al<5>,1|C<3>,1|C<4>}	121.8822	0.272	4	120.8257	0.452	22	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,2|C<4>}	121.6730	0.000	1	120.8257	0.452	22	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|C<4>}	120.3800	0.333	3	120.8257	0.452	22	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|C<4>}	120.1612	0.130	6	120.8257	0.452	22	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<4>,1|C<3>,1|C<4>}	120.8627	0.406	3	120.8257	0.452	22	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|C<4>}	120.7750	0.000	1	120.8257	0.452	22	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|C<4>}	120.7570	0.000	1	120.8257	0.452	22	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]N[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Al<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ca<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Al)(C[6]C[6]H)(H){1|Ca<6>,1|C<3>,1|C<4>}	119.8343	0.372	6	119.7892	0.216	9	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]N[6]Al)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Al<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Al)(C[6]C[6]H)(H){1|Li<4>,1|C<3>,1|C<4>}	119.6990	0.705	3	119.7892	0.216	9	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]N[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sn<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Sn)(C[6]C[6]H)(H){1|Li<4>,1|C<3>,1|C<4>}	120.2120	0.728	12	120.1175	0.458	15	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]N[6]Sn)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sn<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Eu<6>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Sn)(C[6]C[6]H)(H){1|Eu<6>,1|C<3>,1|C<4>}	119.7393	0.143	3	120.1175	0.458	15	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ag<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|C<4>}	119.9335	1.139	2	119.5985	0.421	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	120.2787	0.544	3	119.5985	0.421	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Cd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|C<4>}	119.4670	0.000	1	119.5985	0.421	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|C<4>}	118.6230	0.000	1	119.5985	0.421	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|C<4>}	119.2180	0.000	1	119.5985	0.421	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>}	119.4025	0.683	4	119.5985	0.421	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|C<4>}	119.4583	0.215	3	119.5985	0.421	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|C<4>}	119.5800	0.000	1	119.5985	0.421	16	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|C<4>}	119.7020	0.000	1	119.7020	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	119.9567	0.252	7	119.5903	0.353	23	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>}	118.7230	0.000	1	119.5903	0.353	23	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|C<4>}	119.4660	0.000	1	119.5903	0.353	23	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	119.0390	0.000	1	119.5903	0.353	23	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	119.3864	0.768	8	119.5903	0.353	23	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|C<4>}	119.5180	0.815	2	119.5903	0.353	23	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|C<4>}	119.8730	0.000	1	119.5903	0.353	23	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Rh<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|C<4>}	119.8255	0.227	2	119.5903	0.353	23	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|C<4>}	119.5590	0.215	2	119.5590	0.046	2	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.4630	0.000	1	120.0780	1.465	3	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|C<4>}	119.5480	0.000	1	120.0780	1.465	3	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|C<4>}	119.2230	0.000	1	120.0780	1.465	3	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6a]HH)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6a]HH){1|Cd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|C<4>}	119.0655	2.133	2	119.0655	4.551	2	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|C<4>}	120.4770	0.201	2	121.1469	0.397	15	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|C<4>}	121.7770	0.849	2	121.1469	0.397	15	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|C<4>}	121.2227	0.473	3	121.1469	0.397	15	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>}	120.4140	0.744	2	121.1469	0.397	15	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	121.6225	0.028	2	121.1469	0.397	15	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|C<4>}	121.0500	0.281	2	121.1469	0.397	15	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|C<4>}	121.0350	0.000	1	121.1469	0.397	15	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	121.8190	0.000	1	121.1469	0.397	15	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>}	120.3307	0.389	3	120.6168	0.178	6	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|C<4>}	120.9685	0.271	2	120.6168	0.178	6	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<3>}	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>}	120.7720	0.000	1	120.6168	0.178	6	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C[6](C[6]P[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|P<2>,1|P<3>}	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|H<1>}	C[6](C[6]P[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	124.8710	0.000	1	125.3986	0.379	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C[6](C[6]P[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|P<2>,1|P<4>}	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|H<1>}	C[6](C[6]P[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	125.0880	0.000	1	125.3986	0.379	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C[6](C[6]P[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|P<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]P[6]Si)(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	125.6780	0.674	3	125.3986	0.379	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	120.4450	0.000	1	120.4450	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	120.2325	0.659	4	120.2325	0.434	4	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	122.1040	0.000	1	122.1040	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CC[6a]2N){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	120.9790	0.000	1	120.9790	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	123.2180	0.000	1	123.2180	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	121.4320	0.000	1	121.4320	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	120.8223	2.502	3	120.8223	6.262	3	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(CN[5]CH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	124.7470	0.000	1	124.7470	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH){1|Li<5>,1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Li<5>,1|C<3>,2|C<4>}	121.4190	0.000	1	121.4190	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	121.4505	0.189	2	120.9491	0.169	7	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|C<4>}	121.1250	0.000	1	120.9491	0.169	7	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Mn<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|C<4>}	120.5280	0.000	1	120.9491	0.169	7	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Re<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|C<4>}	120.6600	0.000	1	120.9491	0.169	7	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Rh<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|C<4>}	120.7150	0.272	2	120.9491	0.169	7	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Au<4>,1|C<3>,1|C<4>}	122.0845	0.424	2	121.5614	0.426	9	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	120.1260	0.000	1	121.5614	0.426	9	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>}	121.7155	0.364	4	121.5614	0.426	9	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|C<4>}	121.6770	0.000	1	121.5614	0.426	9	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Rh<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|C<4>}	121.2190	0.000	1	121.5614	0.426	9	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Ir<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|C<4>}	121.5160	0.000	1	121.6992	0.781	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Ir<7>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|C<4>}	120.9095	0.408	2	121.6992	0.781	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	122.5805	0.351	2	121.6992	0.781	5	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]Ir)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	121.1940	0.000	1	121.1940	0.000	1	120.5855	2.053	362	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	123.1790	0.001	2	123.1790	0.000	2	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	123.4430	0.000	1	123.4430	0.000	1	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	123.7050	0.000	1	123.7050	0.000	1	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	124.3723	0.884	7	124.3723	0.781	7	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	122.7360	0.683	2	122.7360	0.467	2	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	123.4920	0.000	1	123.0925	0.319	2	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|N<3>}	122.6930	0.000	1	123.0925	0.319	2	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|C<4>,3|C<3>}	122.1430	1.336	2	122.1430	1.786	2	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	123.3055	0.679	4	123.3055	0.462	4	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	122.6819	0.371	8	122.6819	0.138	8	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|C<4>,1|H<1>}	123.4940	0.218	3	123.4940	0.047	3	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	123.5180	0.000	1	123.5180	0.000	1	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	122.9667	0.491	25	122.9667	0.241	25	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	122.7860	0.000	1	122.7860	0.000	1	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	121.9333	0.583	15	121.9333	0.340	15	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|C<4>}	121.6130	0.000	1	122.5090	0.462	4	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	122.8077	0.397	3	122.5090	0.462	4	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,2|C<4>}	120.9740	0.000	1	120.9740	0.000	1	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	122.1030	0.000	1	122.1030	0.000	1	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	122.6260	0.000	1	122.6260	0.000	1	122.8447	0.757	81	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<2>}	119.4690	0.000	1	119.4690	0.000	1	119.4690	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CH3)	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5a,6]C[5a,6]2)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	121.8530	0.221	2	121.8530	0.049	2	121.8530	0.049	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	N[6,6a]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(H){3|C<3>,3|C<4>}	119.1405	0.063	2	119.1405	0.004	2	119.1405	0.004	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[6]HH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[6]HH){1|H<1>,1|N<3>,1|O<2>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	120.6630	0.000	1	120.6630	0.000	1	119.7093	0.682	3	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CClHH)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CClHH){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	119.2460	0.000	1	119.2460	0.000	1	119.7093	0.682	3	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5a]HH)	C[6](N[6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5a]HH){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	119.2190	0.000	1	119.2190	0.000	1	119.7093	0.682	3	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(NH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<3>}	117.8710	0.000	1	117.8710	0.000	1	117.8710	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(PC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(PC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|P<4>}	121.9790	0.000	1	121.9790	0.000	1	120.2866	0.873	15	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(PC[6a]3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]S)(PC[6a]3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<1>,1|P<4>}	120.5810	0.000	1	120.5810	0.000	1	120.2866	0.873	15	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PC[6]FeC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6]FeC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.1910	0.397	2	120.1910	0.158	2	120.2866	0.873	15	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PC[6]MoC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6]MoC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	121.7115	0.366	2	121.7115	0.134	2	120.2866	0.873	15	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PC[6]PdO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6]PdO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	119.7430	0.000	1	119.7430	0.000	1	120.2866	0.873	15	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PC[6]ReO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6]ReO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	119.9650	0.000	1	119.9650	0.000	1	120.2866	0.873	15	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PC[6a]2N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6a]2N){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	118.9930	0.000	2	118.9930	0.000	2	120.2866	0.873	15	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PC[6a]3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6a]3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	119.9600	0.000	1	119.9600	0.000	1	120.2866	0.873	15	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PC[6a]CO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6a]CO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	119.5840	0.000	1	119.5840	0.000	1	120.2866	0.873	15	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PC[6a]NN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(PC[6a]NN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.6970	0.000	1	120.6970	0.000	1	120.2866	0.873	15	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PFeCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(PFeCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.3280	0.000	1	120.3280	0.000	1	120.2866	0.873	15	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PMo2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(PMo2H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	119.6710	0.000	1	119.6710	0.000	1	120.2866	0.873	15	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|S<4>}	117.7257	0.095	3	117.7843	0.038	7	117.9256	0.193	8	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|S<4>}	117.8282	0.254	4	117.7843	0.038	7	117.9256	0.193	8	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SC[5]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(SC[5]OO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|S<4>}	118.9150	0.000	1	118.9150	0.000	1	117.9256	0.193	8	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SiC3)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(SiC3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|Si<4>,1|C<3>}	121.2820	0.000	1	121.2820	0.000	1	120.7678	0.683	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SiC3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(SiC3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|Si<4>,1|C<3>}	120.8365	0.124	2	120.8365	0.015	2	120.7678	0.683	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SiC[6]2C)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(SiC[6]2C){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|Si<4>,1|C<3>}	120.2867	0.366	8	120.2867	0.134	8	120.7678	0.683	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(SiC[6a]3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)2(SiC[6a]3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>}	122.3660	0.105	2	122.3660	0.011	2	120.7678	0.683	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Si)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC[6]CC)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Si)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC[6]CC){1|Si<4>,1|C<3>,1|O<1>}	C[6](C[6]C[6]H)2(O){2|Si<4>,1|C<3>}	122.7078	0.501	8	122.7078	0.251	8	122.7078	0.251	8	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(BC[6a]3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(BC[6a]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	121.2880	0.173	5	121.2880	0.030	5	121.2880	0.030	5	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CBHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.6460	0.105	3	121.6460	0.011	3	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.3570	0.000	1	121.3570	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.3450	0.298	2	121.3450	0.089	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.0545	0.749	2	120.8385	0.250	11	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.9830	0.228	6	120.8385	0.250	11	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]B)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.0720	0.280	3	120.8385	0.250	11	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.5580	0.000	1	121.5580	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.1225	0.295	4	121.1225	0.087	4	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CGeHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CGeHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.5920	0.000	1	121.5920	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.6375	0.390	24	120.6331	0.668	41	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.5288	1.322	13	120.6331	0.668	41	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.5275	0.067	2	120.6331	0.668	41	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.3635	1.005	2	120.6331	0.668	41	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CPtCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CPtCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.7920	0.000	1	121.7920	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CRuCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CRuCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7320	0.000	1	119.7320	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CSeHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.8160	0.098	2	120.8160	0.010	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CSiHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CSiHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.5510	0.000	1	121.5510	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]D)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]D)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9700	0.000	1	119.9700	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CBHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.3440	0.000	1	120.3440	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7950	0.000	1	119.7950	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CBrHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4120	0.079	2	119.4120	0.006	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4835	0.285	2	119.8660	0.480	3	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.6310	0.000	1	119.8660	0.480	3	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7763	0.305	4	120.0460	1.257	21	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2847	1.213	15	120.0460	1.257	21	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<6>,1|C<4>,1|N<3>}	118.7980	0.000	1	120.0460	1.257	21	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Os<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<7>,1|C<4>,1|N<3>}	118.7930	0.000	1	120.0460	1.257	21	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7490	0.474	2	119.7490	0.224	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7860	0.000	1	119.7860	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8155	0.687	2	119.8155	0.471	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7580	0.193	4	119.8193	0.038	6	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9420	0.187	2	119.8193	0.038	6	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6a]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6560	0.000	1	118.6560	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.3455	0.121	2	119.3450	0.007	3	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CClHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3440	0.000	1	119.3450	0.007	3	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCuCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCuCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1530	0.000	1	120.1530	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CF3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CF3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	117.9310	0.090	3	117.9310	0.008	3	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	119.7670	0.225	2	119.7670	0.051	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>}	120.5909	0.314	9	120.5909	0.099	9	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.5409	0.557	58	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	119.1423	0.676	3	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.2692	1.097	48	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	119.4875	0.595	2	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	120.3120	0.000	1	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|S<1>}	119.4165	0.234	2	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1595	0.404	26	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.3575	0.197	8	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ir<6>,1|C<4>,1|N<3>}	118.6700	0.000	1	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Os<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<7>,1|C<4>,1|N<3>}	118.9070	0.000	1	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Os<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<8>,1|C<4>,1|N<3>}	117.5840	0.000	1	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ce<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Ce<12>,1|C<4>,1|N<3>,1|O<2>}	119.4310	0.000	1	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Ce<13>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Ce<13>,1|C<4>,1|N<3>,1|O<2>}	119.6280	0.000	1	119.5234	0.656	153	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.6182	0.300	6	119.7729	0.375	85	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.2090	0.000	1	119.7729	0.375	85	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7899	0.634	77	119.7729	0.375	85	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.9550	0.000	1	119.7729	0.375	85	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6240	0.188	2	119.6240	0.035	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5635	0.325	2	119.5635	0.105	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.1680	0.238	2	119.9560	0.100	6	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8500	0.321	4	119.9560	0.100	6	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8287	0.338	4	119.0622	0.358	5	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9960	0.000	1	119.0622	0.358	5	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3030	0.866	3	120.3030	0.750	3	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1790	0.000	1	120.1790	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1690	0.062	2	120.1690	0.004	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.0580	0.000	1	121.0580	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.2350	0.000	1	120.2350	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	121.3405	0.050	2	121.5903	0.129	6	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.7152	0.389	4	121.5903	0.129	6	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.8740	0.086	2	119.8740	0.007	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.5940	0.089	2	120.5940	0.008	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6]3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.6280	0.000	1	121.6280	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.4320	0.000	1	121.4320	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.7330	0.000	1	120.7330	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	122.1930	0.000	1	122.1930	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	121.3463	0.358	6	121.2402	0.324	20	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	120.6290	0.000	1	121.2402	0.324	20	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.2159	0.674	12	121.2402	0.324	20	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.5070	0.000	1	121.2402	0.324	20	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.9700	0.000	1	120.9700	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.8176	0.908	9	120.8176	0.824	9	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.9740	0.355	2	121.1538	0.085	4	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.3335	0.035	2	121.1538	0.085	4	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.9175	0.548	2	120.9175	0.300	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]U)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|U<11>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]U)(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|U<11>,1|C<4>,1|N<3>}	119.7990	0.000	1	119.7990	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<5>}	C[6](C[6]C[6]H)(N[6]C[6]V)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7540	0.081	2	119.7540	0.006	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(N[6]C[6]V)(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|V<6>}	119.8580	0.000	1	119.8580	0.000	1	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<5>}	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9000	0.414	2	119.0724	0.196	22	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1883	0.400	14	119.0724	0.196	22	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<7>}	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8595	0.518	6	119.0724	0.196	22	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|V<6>}	C[6](C[6]C[6]H)(N[6]C[6]V)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1500	0.256	2	119.1500	0.066	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.3150	0.264	2	120.1820	0.096	6	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|W<9>}	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.1155	0.346	4	120.1820	0.096	6	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|W<5>}	C[6](C[6]C[6]H)(N[6]C[6]W)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4085	0.694	2	119.4085	0.481	2	119.9711	0.895	475	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<4>,2|N<3>}	118.1930	0.000	1	118.1930	0.000	1	118.1930	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|Se<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|Se<1>,1|C<4>,1|N<3>}	120.7896	0.275	5	120.7896	0.075	5	120.5881	0.354	43	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	120.5323	0.248	12	120.6864	0.288	20	120.5881	0.354	43	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<2>}	121.1082	0.598	4	120.6864	0.288	20	120.5881	0.354	43	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCHH){1|Se<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|Se<1>,1|C<4>,1|N<3>}	120.7270	0.952	4	120.6864	0.288	20	120.5881	0.354	43	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|N<3>,2|C<4>}	121.3087	0.267	3	120.5309	0.497	15	120.5881	0.354	43	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	119.9080	0.534	6	120.5309	0.497	15	120.5881	0.354	43	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|O<1>,2|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,2|N<3>}	120.9088	0.275	5	120.5309	0.497	15	120.5881	0.354	43	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|Se<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|Se<1>,1|C<4>,1|N<3>}	120.0460	0.000	1	120.5309	0.497	15	120.5881	0.354	43	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	119.8827	0.312	3	119.8827	0.097	3	120.5881	0.354	43	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(PC[6a]2F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(PC[6a]2F){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.8670	0.000	1	119.8670	0.000	1	120.0104	0.598	7	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.7897	0.913	4	119.8534	0.645	5	120.0104	0.598	7	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	120.1080	0.000	1	119.8534	0.645	5	120.0104	0.598	7	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(PO3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	120.9390	0.000	1	120.9390	0.000	1	120.0104	0.598	7	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SiC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SiC3){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ir<6>,1|Si<4>,1|N<3>}	119.4010	0.000	1	119.4010	0.000	1	119.8923	0.408	3	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(SiCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(SiCCO){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Si<4>,1|N<3>}	120.1380	0.673	2	120.1380	0.453	2	119.8923	0.408	3	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	Ga[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]Ga[6]Si)(C[6]C[6]H)(H)	C[6](Ga[6]C[6a]C[6])(C[6]C[6]H)(SiC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]Ga[6]Si)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](Ga[6]C[6a]C[6])(C[6]C[6]H)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Ga<3>,2|Si<4>}	128.7530	0.269	2	128.7530	0.072	2	128.7530	0.072	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	Ge[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]Ge[6]C)(C[6]C[6]H)(H)	C[6](Ge[6]C[6]Ru)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]Ge[6]C)(C[6]C[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](Ge[6]C[6]Ru)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ge<3>,1|C<4>,1|H<1>}	130.5010	0.000	1	130.5010	0.000	1	130.5010	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	In[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]In[6]Si)(C[6]C[6]H)(H)	C[6](In[6]C[6]C)(C[6]C[6]H)(SiC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]In[6]Si)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](In[6]C[6]C)(C[6]C[6]H)(SiC3){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|In<3>,2|Si<4>}	130.9685	0.431	2	130.9685	0.185	2	130.9685	0.185	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){2|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<4>,2|N<3>}	119.7490	0.000	1	120.2957	0.232	3	120.0878	0.642	6	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	120.5690	0.123	2	120.2957	0.232	3	120.0878	0.642	6	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<4>,2|N<3>}	119.2230	0.000	1	119.2360	0.000	2	120.0878	0.642	6	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](N[4,6]C[4,6]Ge[4])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<4>,2|N<3>}	119.2490	0.000	1	119.2360	0.000	2	120.0878	0.642	6	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H)	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(CC3)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[4,6]C)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[4,6]C[4,6]Si[4])(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	121.1680	0.000	1	121.1680	0.000	1	120.0878	0.642	6	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]C)(H)	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]C)(H){1|Ga<5>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|Cl<1>,1|H<1>,1|N<3>,2|C<3>,2|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	120.8360	0.000	1	120.9955	0.263	8	120.9955	0.263	8	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]C)(H)	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]C)(H){1|Ga<5>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,3|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.8465	0.338	6	120.9955	0.263	8	120.9955	0.263	8	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[5,6]C)(H)	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]H)(C[6]N[5,6]C)(H){1|Ga<5>,2|C<3>}	C[6](N[5,6]C[5,6,6a]Ga[5,5])(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	122.0490	0.000	1	120.9955	0.263	8	120.9955	0.263	8	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	120.5390	0.000	1	120.4435	0.042	4	120.2575	0.610	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	120.3860	0.000	1	120.4435	0.042	4	120.2575	0.610	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	120.4245	0.337	2	120.4435	0.042	4	120.2575	0.610	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	121.0290	0.000	1	120.5020	0.239	3	120.2575	0.610	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<2>}	120.2385	0.248	2	120.5020	0.239	3	120.2575	0.610	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CH3){2|Cl<1>,1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	119.0380	0.000	1	119.0380	0.000	1	120.2575	0.610	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CHHN)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]Ga[5])(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>,3|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	118.6090	0.000	1	118.6090	0.000	1	120.2575	0.610	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H)	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](N[5,6]C[5,6]S[5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,2|N<3>}	120.9530	0.040	2	120.9530	0.002	2	120.2575	0.610	11	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(PIrCC)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H){1|In<5>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5]C[5,6])(C[6]C[6]H)(PIrCC){1|Cl<1>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<4>}	118.4982	0.389	4	118.4982	0.151	4	118.4982	0.151	4	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	119.8690	0.000	1	120.0955	0.103	2	120.0955	0.103	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|F<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	120.3220	0.000	1	120.0955	0.103	2	120.0955	0.103	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]C)(C[6]C[6]H)(H)	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6a]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6a]C[6,6a]B[6a])(C[6]C[6]H)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	120.7330	0.000	1	120.7330	0.000	1	120.7330	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(BC[5a]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(BC[5a]OO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|N<3>}	121.3105	0.077	2	121.3105	0.006	2	121.6885	0.535	12	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(BC[6]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(BC[6]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	121.6260	0.336	4	121.6260	0.113	4	121.6885	0.535	12	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	122.3575	0.472	2	122.3575	0.222	2	121.6885	0.535	12	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(BC[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	120.6485	0.643	2	120.6485	0.413	2	121.6885	0.535	12	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(BC[6]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(BC[6]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	122.5625	0.142	2	122.5625	0.020	2	121.6885	0.535	12	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	117.7980	0.000	1	117.7980	0.000	1	118.3120	0.293	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	118.9130	0.000	1	118.9130	0.000	1	118.3120	0.293	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	118.1970	0.000	1	118.1970	0.000	1	118.3120	0.293	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<4>}	117.4890	0.000	1	117.9635	0.450	2	118.3120	0.293	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	118.4380	0.000	1	117.9635	0.450	2	118.3120	0.293	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<4>}	118.1955	0.192	2	118.1955	0.037	2	118.3120	0.293	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	119.4750	0.000	1	119.4750	0.000	1	118.3120	0.293	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|Cl<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Cl){1|N<3>,2|C<4>}	117.9745	0.561	2	117.9745	0.314	2	118.3120	0.293	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	118.4687	0.276	3	118.4687	0.076	3	118.3120	0.293	13	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]H)(CH3){1|B<5>,1|C<3>,2|B<6>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2260	0.000	1	120.2260	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,4x6]C[6])(C[6]C[6]H)(CH3){1|Rh<8>,1|C<3>,2|H<1>,3|B<6>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	122.0270	0.000	1	122.0270	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[5]C[6])(C[6]C[6]H)(CB[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[5]C[6])(C[6]C[6]H)(CB[5]HH){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.5950	0.000	1	121.5950	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](N[6]B[6]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.8770	0.000	1	119.8770	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](N[6]B[6a]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.0208	0.370	4	120.0208	0.137	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.3340	0.000	1	119.4104	0.012	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.4295	0.119	4	119.4104	0.012	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.2350	0.147	2	118.2350	0.022	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8750	0.041	2	118.8750	0.002	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CAsSi2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CAsSi2){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.9970	0.000	1	120.9970	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7780	0.277	3	119.7780	0.076	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCCN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	118.9330	0.000	1	118.9370	0.154	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.9383	0.481	3	118.9370	0.154	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.8860	0.364	4	118.8860	0.132	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9660	0.000	1	119.9520	0.502	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.0750	0.000	1	119.9520	0.502	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	119.4860	0.000	1	119.9520	0.502	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.9657	0.489	3	119.9520	0.502	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.2400	0.000	1	119.9520	0.502	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9600	0.000	1	118.6513	0.071	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4970	0.000	2	118.6513	0.071	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Au)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Au<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Au)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.5150	0.000	1	120.5150	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0992	0.374	4	120.0992	0.140	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9625	0.404	2	119.9625	0.163	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ca<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4470	0.000	1	119.4470	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9145	1.473	2	119.9145	2.169	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.8977	0.215	3	120.8977	0.046	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4580	0.000	1	119.7110	0.128	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9640	0.000	1	119.7110	0.128	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]2O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6305	0.627	6	118.6305	0.393	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3845	0.343	4	119.3845	0.117	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.5870	0.166	4	119.7160	0.064	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9740	0.199	2	119.7160	0.064	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4246	0.707	5	119.2114	0.175	23	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2035	0.306	11	119.2114	0.175	23	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.9117	0.267	4	119.2114	0.175	23	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2847	0.205	3	119.2114	0.175	23	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8435	0.670	2	118.8435	0.448	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2171	0.277	8	119.2171	0.077	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.6590	0.000	1	120.6590	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CN[5]HS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1260	0.000	1	119.1260	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CSeHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2980	0.305	3	119.2980	0.093	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.0080	0.270	6	119.0080	0.073	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0595	0.887	4	118.8007	0.791	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.2830	0.891	2	118.8007	0.791	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.4500	0.489	5	120.1368	0.855	35	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.5995	0.104	2	120.1368	0.855	35	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7627	0.283	4	120.1368	0.855	35	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0187	1.154	20	120.1368	0.855	35	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.4780	0.335	4	120.1368	0.855	35	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.9320	0.000	1	117.9320	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6516	1.030	5	118.6516	1.061	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[5]CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7940	0.000	1	119.7940	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.3719	0.177	11	119.8136	0.147	35	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0160	0.259	24	119.8136	0.147	35	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1405	0.181	4	118.9645	0.338	15	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9202	0.701	10	118.9645	0.338	15	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]2O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7040	0.000	1	118.9645	0.338	15	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.8473	0.300	4	119.8473	0.090	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.1806	0.301	5	120.1806	0.090	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6920	0.000	1	119.6920	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.1130	0.860	2	118.1130	0.739	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0916	0.837	17	119.0916	0.701	17	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4280	0.000	1	118.4280	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CC[6a]HS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8500	0.000	1	118.8500	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCoHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CCoHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4510	0.000	1	119.4510	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<3>,1|C<4>,1|N<3>}	120.4750	0.372	2	120.0014	0.646	53	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.1420	0.000	1	120.0014	0.646	53	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.8540	0.000	1	120.0014	0.646	53	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1835	1.156	4	120.0014	0.646	53	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.7800	0.870	10	120.0014	0.646	53	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<4>,1|N<3>}	120.4285	0.426	2	120.0014	0.646	53	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|As<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<4>,1|C<4>,1|N<3>}	120.6755	0.982	2	120.0014	0.646	53	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.1388	0.722	5	120.0014	0.646	53	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.8706	0.745	20	120.0014	0.646	53	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.8804	1.143	5	120.0014	0.646	53	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.8750	0.000	1	120.0014	0.646	53	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8435	0.339	4	118.9548	0.374	325	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7381	0.163	7	118.9548	0.374	325	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.4560	0.000	1	118.9548	0.374	325	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2191	0.480	43	118.9548	0.374	325	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7047	0.342	3	118.9548	0.374	325	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.6974	0.524	68	118.9548	0.374	325	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.3167	0.438	9	118.9548	0.374	325	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0501	0.630	179	118.9548	0.374	325	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4353	0.156	3	118.9548	0.374	325	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.0660	0.000	1	118.9548	0.374	325	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.7160	0.040	2	118.9548	0.374	325	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.3482	0.158	5	118.9548	0.374	325	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.3799	0.350	13	118.7166	0.216	29	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9867	0.369	15	118.7166	0.216	29	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.0410	0.000	1	118.7166	0.216	29	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.9176	0.733	12	119.7203	0.356	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.9592	0.476	4	119.7203	0.356	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.6253	0.307	10	119.7203	0.356	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.3247	0.614	6	119.7203	0.356	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9990	1.081	6	119.0987	0.870	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.3980	0.082	2	119.0987	0.870	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9930	0.000	1	118.9930	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHPP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHPP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4900	0.000	1	119.4900	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.6665	0.248	2	118.8180	0.100	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1210	0.000	1	118.8180	0.100	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.0970	0.000	1	119.0143	0.160	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3780	0.000	1	119.0143	0.160	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9398	0.435	6	119.0143	0.160	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7980	0.000	1	119.7980	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7690	0.272	2	119.2362	0.287	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7475	0.142	2	119.2362	0.287	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1480	0.000	1	119.2362	0.287	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CN[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8880	0.007	2	119.8880	0.000	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.0917	1.163	3	120.0001	1.049	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2863	0.224	3	120.0001	1.049	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.9335	0.267	2	120.0001	1.049	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6940	0.000	1	119.6940	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCrHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CCrHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9330	0.000	1	118.9330	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.5740	0.181	2	119.5618	0.632	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.9060	0.000	1	119.5618	0.632	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7723	1.132	3	119.5618	0.632	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4640	0.000	1	119.0912	0.181	20	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1118	0.402	18	119.0912	0.181	20	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3490	0.000	1	119.0912	0.181	20	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2752	0.395	6	119.2752	0.156	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4680	0.000	1	119.6617	0.757	18	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.3890	1.089	3	119.6617	0.757	18	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8054	0.812	14	119.6617	0.757	18	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4872	0.778	6	119.4872	0.605	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CBrHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CBrHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.8067	0.399	4	118.8067	0.159	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.3990	0.000	1	119.1079	1.171	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9200	1.277	4	119.1079	1.171	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8380	0.424	2	119.1079	1.171	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.9643	0.598	3	119.9643	0.358	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8420	0.175	2	118.8420	0.031	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9655	0.103	2	119.9250	0.814	79	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8667	0.529	11	119.9250	0.814	79	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.9235	0.558	4	119.9250	0.814	79	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9941	1.165	26	119.9250	0.814	79	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.4653	1.120	3	119.9250	0.814	79	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4870	0.694	2	119.9250	0.814	79	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7323	0.736	31	119.9250	0.814	79	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.3028	0.428	4	118.3028	0.183	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7260	0.030	2	118.7260	0.001	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCOO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	117.8370	0.000	1	117.8370	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[5]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6400	0.000	1	119.6400	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4128	0.630	6	119.4780	0.675	27	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6128	0.591	12	119.4780	0.675	27	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9244	1.012	5	119.4780	0.675	27	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8630	1.323	4	119.4780	0.675	27	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2F){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.2895	0.283	4	118.3379	0.198	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2F)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2F){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.3656	0.536	7	118.3379	0.198	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9844	0.258	9	118.9844	0.067	9	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	118.1851	0.914	7	118.2917	0.806	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0380	0.000	1	118.2917	0.806	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9620	0.225	4	119.9620	0.051	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4488	0.108	4	119.3558	0.100	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.2938	0.401	6	119.3558	0.100	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]NO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CC[6]NO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.3930	0.091	2	118.3930	0.008	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CClHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CClHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.4250	0.000	1	120.4250	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCuSi2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCuSi2){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	121.9840	0.000	1	121.9840	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CF3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CF3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.0228	0.201	4	117.9376	0.067	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CF3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	117.5970	0.000	1	117.9376	0.067	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.8102	0.556	4	119.9013	0.426	125	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.5490	0.505	5	119.9013	0.426	125	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	120.0041	0.462	11	119.9013	0.426	125	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.9622	0.935	18	119.9013	0.426	125	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	120.3450	0.168	3	119.9013	0.426	125	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.8615	0.619	54	119.9013	0.426	125	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.9600	0.838	14	119.9013	0.426	125	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	120.1173	0.312	3	119.9013	0.426	125	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5220	0.000	1	119.9013	0.426	125	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.8884	0.438	7	119.9013	0.426	125	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<5>,1|C<4>,1|N<3>}	120.3690	0.358	2	119.9013	0.426	125	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4957	0.258	3	119.9013	0.426	125	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>}	119.2510	0.000	1	119.2510	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9257	0.385	8	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5894	0.638	5	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9946	0.524	73	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3146	0.912	73	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8156	0.745	28	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|F<1>,1|N<3>}	118.4270	0.011	2	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	118.1498	0.244	5	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	117.8790	0.628	11	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	118.6602	0.480	5	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8937	0.803	257	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.5021	0.502	10	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1460	0.662	6	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0896	0.512	10	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.0422	0.344	6	118.9400	0.617	499	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0224	0.100	5	119.0924	0.094	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.0217	0.321	10	119.0924	0.094	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3287	0.293	3	119.0924	0.094	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.2087	0.479	3	119.0924	0.094	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.6835	0.443	2	119.2189	0.381	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8828	0.173	4	119.2189	0.381	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8227	0.469	4	119.2189	0.381	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1418	0.345	12	119.4362	0.608	33	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3576	1.130	7	119.4362	0.608	33	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.2811	0.514	8	119.4362	0.608	33	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9892	0.184	5	119.4362	0.608	33	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9970	0.000	1	119.4362	0.608	33	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6930	0.573	2	118.8263	0.217	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0930	0.000	1	118.8263	0.217	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<2>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0090	0.000	1	118.7989	0.878	15	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.4735	0.033	2	118.7989	0.878	15	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8075	1.724	4	118.7989	0.878	15	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1490	0.083	2	118.7989	0.878	15	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9273	0.184	3	118.7989	0.878	15	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.2390	0.443	3	118.7989	0.878	15	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3420	0.294	3	119.2480	0.093	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[5a]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.9660	0.000	1	119.2480	0.093	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6750	0.635	4	119.0087	0.583	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7590	0.898	3	119.0087	0.583	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.2230	0.000	1	119.0087	0.583	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9653	0.354	3	119.0087	0.583	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<9>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Eu<9>,1|C<4>,2|N<3>}	119.0550	0.000	1	119.0550	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<13>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6195	0.981	2	119.2622	0.890	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Eu<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Eu)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9050	0.235	2	119.2622	0.890	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.0100	0.000	1	119.9528	0.333	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.5915	0.292	2	119.9528	0.333	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8413	0.287	3	119.9528	0.333	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7264	0.533	5	119.6622	0.684	39	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.0235	0.021	2	119.6622	0.684	39	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.2428	0.494	10	119.6622	0.684	39	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	118.7612	0.480	6	119.6622	0.684	39	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0923	0.774	15	119.6622	0.684	39	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.7690	0.000	1	119.6622	0.684	39	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3407	0.122	3	119.0832	0.167	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9480	0.000	1	119.0832	0.167	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7645	0.619	2	119.0832	0.167	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.0200	0.000	1	119.0200	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.4280	0.000	1	120.4280	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2290	0.000	1	120.2290	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5a]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[5a]2C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1085	0.473	2	119.1085	0.224	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4377	0.224	7	119.9273	0.216	45	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0175	0.441	38	119.9273	0.216	45	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0953	0.202	3	119.0953	0.041	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9604	0.325	10	119.1624	0.221	36	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3036	0.501	22	119.1624	0.221	36	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.8905	0.357	4	119.1624	0.221	36	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]CN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8775	0.392	2	118.8775	0.154	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	117.8480	0.044	2	118.4865	0.381	30	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5442	0.611	26	118.4865	0.381	30	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.3745	0.887	2	118.4865	0.381	30	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7361	0.464	9	118.8390	0.252	13	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]OO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.0705	0.576	4	118.8390	0.252	13	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4080	0.000	1	119.4080	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7320	0.167	5	120.3271	0.436	140	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	119.1695	0.071	2	120.3271	0.436	140	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.9802	0.306	12	120.3271	0.436	140	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<4>,1|N<3>}	120.0785	0.377	2	120.3271	0.436	140	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.1244	0.428	8	120.3271	0.436	140	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	119.8847	1.072	4	120.3271	0.436	140	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5620	0.000	1	120.3271	0.436	140	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.8107	0.340	4	120.3271	0.436	140	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.1555	0.527	47	120.3271	0.436	140	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.9018	0.456	50	120.3271	0.436	140	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Fe<7>,1|C<4>,1|N<3>,1|O<2>}	119.4913	0.230	3	120.3271	0.436	140	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.3345	0.672	2	120.3271	0.436	140	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4305	0.670	2	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3805	0.206	4	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	118.7350	0.000	1	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.3796	0.571	7	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|F<1>,1|N<3>}	118.9615	0.261	2	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	118.6610	0.000	1	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.1157	0.318	3	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0057	0.543	22	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<4>,1|N<3>}	118.5330	1.099	2	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.8833	0.125	4	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	119.3600	0.000	1	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|N<3>}	119.5625	0.650	2	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7024	0.468	94	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|F<1>,1|N<3>}	119.1830	0.467	6	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.6905	0.329	2	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1426	0.702	712	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cl<1>,1|C<4>,1|N<3>}	119.1250	0.504	4	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.9582	0.325	13	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7073	0.584	8	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3469	0.288	11	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4860	0.028	2	119.0768	0.461	903	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7486	0.637	8	119.3227	0.785	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2992	0.446	5	119.3227	0.785	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.9115	0.975	8	119.3227	0.785	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7314	0.361	5	119.5732	0.114	16	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.3510	0.329	4	119.5732	0.114	16	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.6337	0.397	4	119.5732	0.114	16	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.5250	0.148	3	119.5732	0.114	16	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0547	0.610	3	119.5759	0.420	13	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.3133	0.248	3	119.5759	0.420	13	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4833	0.733	7	119.5759	0.420	13	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2010	0.000	1	119.2010	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8000	0.000	1	119.8000	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.3740	0.000	1	119.9020	0.558	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHPP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.4300	0.000	1	119.9020	0.558	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.2920	0.408	4	118.2920	0.166	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3957	0.116	3	119.1554	0.484	38	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9298	0.630	5	119.1554	0.484	38	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3564	0.637	5	119.1554	0.484	38	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1320	0.516	2	119.1554	0.484	38	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2944	0.816	9	119.1554	0.484	38	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7557	0.581	7	119.1554	0.484	38	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.6055	0.363	4	119.1554	0.484	38	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2210	0.227	3	119.1554	0.484	38	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3340	0.000	1	120.3340	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hf)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hf<10>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Hf)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Hf<10>,1|C<4>,2|N<3>}	119.6300	0.000	1	119.6300	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CC[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.5130	0.000	1	120.5130	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.1165	0.892	2	119.5053	0.839	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.8940	1.056	2	119.5053	0.839	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.5475	0.637	2	118.7987	0.392	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3010	0.000	1	118.7987	0.392	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Hg<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9035	0.349	2	118.9035	0.122	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|In<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9070	0.000	1	119.9070	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]In)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|In<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]In)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8160	0.000	1	118.8160	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.4405	0.284	2	119.9927	0.477	41	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0206	0.592	31	119.9927	0.477	41	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7890	0.000	1	119.9927	0.477	41	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7699	1.130	7	119.9927	0.477	41	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0400	0.337	2	120.0400	0.113	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8665	1.593	6	118.8665	2.537	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3307	0.506	3	120.3307	0.256	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.6490	0.000	1	120.6490	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1583	0.243	3	120.1583	0.059	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	121.0040	0.000	1	120.7536	0.461	36	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.6590	0.000	1	120.7536	0.461	36	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.8576	0.422	7	120.7536	0.461	36	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.8871	0.773	20	120.7536	0.461	36	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.7680	0.202	2	120.7536	0.461	36	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.2374	0.395	5	120.7536	0.461	36	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.3600	0.054	2	118.9422	0.810	44	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.0468	0.652	9	118.9422	0.810	44	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8033	0.971	20	118.9422	0.810	44	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2744	0.820	7	118.9422	0.810	44	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9995	0.327	2	118.9422	0.810	44	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1890	0.000	1	118.9422	0.810	44	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7133	0.795	3	118.9422	0.810	44	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.2640	0.000	1	120.2640	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.9770	0.306	4	119.8003	0.366	46	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.4500	0.000	1	119.8003	0.366	46	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.8239	0.869	8	119.8003	0.366	46	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.8400	0.000	1	119.8003	0.366	46	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7355	0.444	21	119.8003	0.366	46	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4860	0.198	2	119.8003	0.366	46	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8840	0.000	1	119.8003	0.366	46	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0905	0.826	8	119.8003	0.366	46	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.5850	0.673	2	120.4406	1.206	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.0110	0.982	3	120.4406	1.206	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHPP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHPP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3230	0.000	1	119.3230	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CIrHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CIrHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0950	0.000	1	119.0950	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.5960	0.000	1	119.4557	0.658	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.2650	0.001	2	119.4557	0.658	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2660	0.765	4	119.4557	0.658	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CP[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CP[5]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.6170	0.392	3	120.6170	0.154	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSeHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3470	0.000	1	119.3470	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSiHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.3590	0.228	2	120.5173	0.101	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSiHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.8340	0.000	1	120.5173	0.101	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Al<4>,1|C<4>,1|N<3>}	119.2338	0.237	13	119.1299	0.149	17	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	117.9990	0.000	1	119.1299	0.149	17	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.2485	0.235	2	119.1299	0.149	17	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|N<4>}	118.6730	0.000	1	119.1299	0.149	17	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	119.5410	0.646	2	119.3782	0.234	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7618	0.116	4	119.3782	0.234	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9133	0.218	4	119.3782	0.234	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CLiHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CLiHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.4460	0.000	1	121.3195	0.032	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CLiHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CLiHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.1930	0.000	1	121.3195	0.032	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CSiHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CSiHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5242	0.268	4	119.5242	0.072	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.2730	0.000	1	118.2730	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4110	0.000	1	120.1257	0.433	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3640	0.555	3	120.1257	0.433	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.0620	0.000	1	119.0620	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2308	0.303	4	119.2308	0.092	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.6732	0.618	4	118.6732	0.381	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CMgHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CMgHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.6585	0.141	2	121.6585	0.020	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mg)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5410	0.000	1	118.5410	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6150	0.000	1	119.9226	0.096	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9995	0.298	4	119.9226	0.096	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5362	0.790	4	119.2747	0.624	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7515	0.653	2	119.2747	0.624	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1980	0.335	4	119.1980	0.113	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.2365	0.470	2	119.2365	0.221	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5]HO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6855	0.107	2	119.6855	0.011	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[5a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8280	0.000	1	119.8280	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.0840	0.629	2	119.8412	0.731	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3460	0.556	3	119.8412	0.731	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1243	0.662	3	119.1243	0.438	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9718	1.090	6	119.0413	0.544	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1492	0.595	13	119.0413	0.544	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]2O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.5485	0.177	2	119.0413	0.544	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6280	0.336	3	118.6280	0.113	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4656	0.382	5	118.4656	0.146	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3060	0.326	3	119.3060	0.106	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4537	0.787	4	118.4537	0.620	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.5930	0.000	1	119.6544	0.257	18	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.5775	0.443	15	119.6544	0.257	18	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.2620	0.891	2	119.6544	0.257	18	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9438	0.438	12	118.9939	0.415	276	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.7810	0.000	1	118.9939	0.415	276	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7464	0.584	24	118.9939	0.415	276	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	117.3340	0.000	1	118.9939	0.415	276	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.9610	0.000	1	118.9939	0.415	276	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	118.0880	0.113	2	118.9939	0.415	276	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0551	0.565	178	118.9939	0.415	276	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.2092	0.580	4	118.9939	0.415	276	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.4976	1.075	20	118.9939	0.415	276	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2795	0.527	33	118.9939	0.415	276	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8628	0.210	4	119.1647	0.539	16	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4441	0.778	10	119.1647	0.539	16	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.3715	0.312	2	119.1647	0.539	16	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.5960	0.197	2	118.9445	0.335	13	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6580	0.000	1	118.9445	0.335	13	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.2983	0.524	7	118.9445	0.335	13	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4470	0.440	3	118.9445	0.335	13	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1220	0.189	11	119.1220	0.036	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]2H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9705	0.186	2	118.9705	0.035	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9125	0.305	2	118.9125	0.093	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	117.9360	0.348	2	118.5620	0.642	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1880	0.486	2	118.5620	0.642	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CN[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5080	0.000	1	119.5080	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CAsHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CAsHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.3113	0.834	8	120.3113	0.695	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.4920	0.509	4	120.4920	0.259	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.4610	0.000	1	119.2468	0.056	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1933	0.236	4	119.2468	0.056	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[5]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[5]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	125.4545	8.018	2	125.4545	64.286	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2830	0.167	2	120.2830	0.028	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6080	0.000	1	118.6080	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<3>}	121.1187	0.138	3	120.9413	0.084	9	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	120.4280	0.000	1	120.9413	0.084	9	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<4>,1|N<3>}	120.7973	0.167	3	120.9413	0.084	9	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	121.1480	0.262	2	120.9413	0.084	9	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4687	0.900	7	118.4687	0.809	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1305	0.504	2	119.1305	0.254	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.9670	0.989	2	119.7581	0.244	34	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7060	0.512	26	119.7581	0.244	34	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.9138	0.202	6	119.7581	0.244	34	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0060	0.000	1	119.0060	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CMoHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CMoHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9300	0.000	1	118.9300	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0090	0.377	4	119.0090	0.142	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Nd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Nd<12>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Nd)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Nd<12>,1|C<4>,2|N<3>}	118.2820	0.437	3	118.2820	0.191	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<4>,1|C<4>,1|N<3>}	120.4090	0.117	2	120.4090	0.014	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.9570	0.000	1	119.9570	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.7410	0.000	1	119.6553	0.407	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2590	0.419	3	119.6553	0.407	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7070	0.170	2	119.6553	0.407	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1843	0.417	7	120.1674	0.532	84	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8542	0.695	18	120.1674	0.532	84	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.5685	0.602	2	120.1674	0.532	84	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3475	0.814	44	120.1674	0.532	84	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9209	0.382	13	120.1674	0.532	84	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.6325	0.125	2	118.8738	0.400	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4850	0.000	1	118.8738	0.400	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.3495	0.315	2	118.8738	0.400	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7940	0.000	1	118.8738	0.400	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2030	0.355	2	120.2030	0.126	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.3835	0.011	2	119.6872	0.092	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8390	0.247	4	119.6872	0.092	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5583	0.567	3	118.4419	0.613	9	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]2O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3837	0.917	6	118.4419	0.613	9	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CF)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CF){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7712	0.595	4	119.1317	0.335	12	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CF)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CF){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8120	0.154	8	119.1317	0.335	12	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.2945	0.590	2	119.1194	1.010	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]CO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7277	0.780	6	119.1194	1.010	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9790	0.000	1	119.9790	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.3780	0.000	1	118.3780	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8180	0.584	43	118.8180	0.342	43	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]2N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]2N){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2320	0.478	2	119.2320	0.228	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3690	0.000	1	119.3490	0.125	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3440	0.408	4	119.3490	0.125	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<3>,1|C<4>,1|N<3>}	120.2895	0.845	2	120.1585	0.446	73	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.8520	0.412	5	120.1585	0.446	73	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3520	0.000	1	120.1585	0.446	73	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.7870	0.000	1	120.1585	0.446	73	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.3398	1.237	4	120.1585	0.446	73	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8090	0.000	1	120.1585	0.446	73	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.9132	0.508	5	120.1585	0.446	73	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.1876	0.720	33	120.1585	0.446	73	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|S<2>}	119.4727	0.622	3	120.1585	0.446	73	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.3539	0.294	15	120.1585	0.446	73	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Ni<6>,1|C<4>,1|N<3>,1|O<2>}	121.3800	0.000	1	120.1585	0.446	73	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.2815	0.186	2	120.1585	0.446	73	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7130	0.670	21	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5417	0.578	3	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.8705	0.087	2	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.2710	0.665	4	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	118.6640	0.595	3	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4049	0.556	15	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6521	0.686	8	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.6349	0.722	87	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	119.2830	0.000	1	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.2452	0.230	13	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0998	0.733	173	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.7909	0.496	9	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7275	0.279	6	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7330	0.000	1	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6620	0.033	2	118.9575	0.579	348	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7760	0.000	1	118.8112	0.820	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.6936	1.106	19	118.8112	0.820	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9171	0.434	12	118.8112	0.820	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.5548	0.275	11	119.3024	0.318	17	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4920	0.000	1	119.3024	0.318	17	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.3935	0.036	2	119.3024	0.318	17	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7190	0.000	1	119.3024	0.318	17	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5200	0.938	2	119.3024	0.318	17	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7240	0.368	2	119.1611	0.230	25	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.2465	1.241	2	119.1611	0.230	25	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.0846	0.417	14	119.1611	0.230	25	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4144	0.332	7	119.1611	0.230	25	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2010	0.000	1	119.2010	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3675	0.054	2	118.9526	0.300	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.0480	0.000	1	118.9526	0.300	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8620	0.000	1	118.9526	0.300	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1180	0.000	1	118.9526	0.300	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4655	0.854	4	119.2612	0.311	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4389	0.193	7	119.2612	0.311	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.5553	0.085	3	119.2612	0.311	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0840	0.000	1	119.2612	0.311	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1610	0.139	4	119.2612	0.311	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[5]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.0785	0.465	2	119.2612	0.311	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8000	0.000	1	119.8000	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4120	0.000	1	118.4120	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNiHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CNiHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4540	0.457	2	119.4540	0.209	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CC[4]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CC[4]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3770	0.000	1	120.3770	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<5>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|N<5>}	123.3720	0.000	1	121.4420	7.450	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<7>,1|C<4>,1|N<3>}	119.5120	0.000	1	121.4420	7.450	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9997	1.056	15	119.0060	0.840	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1870	0.298	5	119.0060	0.840	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.1940	0.000	1	119.0060	0.840	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.1810	0.242	2	120.1810	0.058	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9225	0.664	2	120.1147	0.331	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.4990	0.000	1	120.1147	0.331	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(COs2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(COs2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.7638	2.990	6	121.7638	8.938	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(COsCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(COsCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.8450	0.000	1	120.9035	1.773	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(COsCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(COsCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9620	0.000	1	120.9035	1.773	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CBHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CBHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.8530	0.000	1	119.8530	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.4880	0.259	2	119.4880	0.067	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.3935	1.261	2	120.3935	1.590	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.9250	0.000	1	119.8017	0.723	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.4273	0.493	3	119.8017	0.723	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7133	0.317	3	118.9008	1.288	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCCO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.6820	0.000	2	118.9008	1.288	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.2322	0.268	4	119.8568	0.980	27	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7745	1.079	22	119.8568	0.980	27	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1660	0.000	1	119.8568	0.980	27	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3094	0.556	8	119.3094	0.309	8	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.4040	0.000	1	120.4040	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0865	0.037	2	120.0865	0.001	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCOO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCOO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.2128	0.517	5	119.4105	0.449	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCOO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.3990	0.000	1	119.4105	0.449	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5195	0.697	6	119.5195	0.485	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1825	1.114	2	119.1825	1.240	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]HS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5250	0.362	2	119.5250	0.131	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2326	0.355	10	119.2326	0.126	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.6680	0.000	1	120.6680	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8177	0.315	3	118.8177	0.099	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CClHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CClHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4690	0.000	1	119.4690	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7151	0.545	44	119.8216	0.433	57	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.1825	1.061	2	119.8216	0.433	57	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	120.2378	1.211	5	119.8216	0.433	57	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|S<2>}	120.0370	1.044	2	119.8216	0.433	57	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.6520	0.479	2	119.8216	0.433	57	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7180	0.177	2	119.8216	0.433	57	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4363	0.681	25	119.2663	0.397	87	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3964	0.513	33	119.2663	0.397	87	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.1537	0.645	3	119.2663	0.397	87	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.0662	0.556	26	119.2663	0.397	87	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4740	0.315	2	119.6269	0.175	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5289	0.221	8	119.6269	0.175	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.7170	0.000	1	119.6269	0.175	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4448	0.352	13	119.2597	1.352	31	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8557	0.664	11	119.2597	1.352	31	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.9794	1.772	7	119.2597	1.352	31	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1302	0.469	16	119.0332	0.274	18	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHS){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.2570	0.000	2	119.0332	0.274	18	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[3]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[3]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7978	1.482	4	118.7978	2.196	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4253	0.716	15	119.7060	0.646	52	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8196	0.835	34	119.7060	0.646	52	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8360	0.000	1	119.7060	0.646	52	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8150	1.042	2	119.7060	0.646	52	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[5a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1790	0.000	2	119.1790	0.000	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1605	1.196	2	120.1605	1.430	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CPdCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CPdCO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	117.9620	0.000	1	117.9620	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CSeHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CSeHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1163	1.868	6	119.1163	3.491	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.4470	0.646	2	120.1353	1.630	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.5120	0.000	1	120.1353	1.630	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9283	0.651	3	119.9283	0.424	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.6762	1.951	13	120.5737	3.517	15	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.0340	0.000	1	120.5737	3.517	15	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7810	0.000	1	120.5737	3.517	15	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9070	0.000	1	118.7630	0.041	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6190	0.000	1	118.7630	0.041	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.6200	0.245	2	119.7258	0.849	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2788	0.415	4	119.7258	0.849	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4644	0.851	5	119.4644	0.725	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8540	0.255	2	119.7165	0.352	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6]HS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5790	0.957	2	119.7165	0.352	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6a]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CC[6a]2H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.9830	0.000	1	120.9830	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.5330	0.880	6	120.3786	1.364	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.5365	1.727	8	120.3786	1.364	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.0657	0.501	7	120.3786	1.364	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8744	0.903	5	119.3677	0.628	35	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5871	0.846	18	119.3677	0.628	35	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2443	0.576	12	119.3677	0.628	35	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.0777	0.337	3	120.1410	0.081	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2360	0.257	2	120.1410	0.081	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4533	0.364	7	119.3568	0.539	12	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7507	1.199	3	119.3568	0.539	12	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4285	0.013	2	119.3568	0.539	12	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8673	0.253	3	118.9272	0.085	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0170	0.431	2	118.9272	0.085	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHNP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5937	1.626	3	118.5937	2.642	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHOO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	117.1560	0.062	2	117.1560	0.004	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8785	0.185	2	119.8785	0.034	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3753	0.378	3	120.3753	0.143	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2811	0.732	7	119.2811	0.536	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7950	0.502	6	118.7950	0.252	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3092	0.957	6	119.3092	0.916	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1342	0.768	5	120.1342	0.590	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1105	0.128	2	120.1105	0.016	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.1662	0.391	9	120.1662	0.153	9	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.4205	0.847	10	118.9460	0.502	61	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7170	0.000	1	118.9460	0.502	61	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4600	0.000	1	118.9460	0.502	61	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0959	0.636	46	118.9460	0.502	61	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	117.8120	0.000	1	118.9460	0.502	61	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0510	0.296	2	118.9460	0.502	61	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7980	0.000	1	119.7980	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6010	0.000	1	119.7646	0.732	14	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.6651	0.475	12	119.7646	0.732	14	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	122.1220	0.000	1	119.7646	0.732	14	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9360	3.653	2	119.5875	1.830	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7504	0.543	8	119.5875	1.830	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHOO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CHOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	117.5780	0.000	1	117.5780	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.3937	1.768	3	119.4041	1.012	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4086	0.690	7	119.4041	1.012	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1067	0.256	3	120.1067	0.065	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.5320	0.284	2	121.5320	0.081	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5560	0.000	1	119.5560	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6923	0.293	3	118.6923	0.086	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.5055	0.403	4	120.5055	0.162	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9050	0.000	1	119.9050	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	118.8480	0.576	4	118.7501	5.831	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	114.4235	2.444	2	118.7501	5.831	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.6800	0.000	1	118.7501	5.831	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.3330	0.198	4	118.7501	5.831	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.1242	0.156	6	119.0788	0.765	29	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.0435	0.206	2	119.0788	0.765	29	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7250	0.000	1	119.0788	0.765	29	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1685	0.455	4	119.0788	0.765	29	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.5783	0.223	3	119.0788	0.765	29	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5590	1.048	9	119.0788	0.765	29	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.3218	0.276	4	119.0788	0.765	29	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5105	0.011	2	119.5105	0.000	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.5825	0.438	23	119.6805	0.147	62	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7765	0.332	27	119.6805	0.147	62	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.6049	0.384	8	119.6805	0.147	62	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5040	0.000	1	119.6805	0.147	62	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8277	0.344	3	119.6805	0.147	62	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.4140	0.000	1	119.3640	0.414	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6807	0.140	3	119.3640	0.414	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6610	0.000	1	119.6610	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.4810	0.000	1	120.4810	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CSeHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2950	0.000	1	119.2950	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CAsHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CAsHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.9352	0.507	6	119.9352	0.257	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CB[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CB[5]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	119.6790	0.000	1	119.6790	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.7420	0.000	1	120.7420	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	120.6260	0.000	1	120.3172	0.207	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2583	0.593	3	120.3172	0.207	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1850	0.000	1	120.3172	0.207	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.2074	0.411	8	120.5107	1.043	47	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1838	0.493	6	120.5107	1.043	47	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.6036	0.640	11	120.5107	1.043	47	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.7533	1.395	20	120.5107	1.043	47	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7680	0.868	2	120.5107	1.043	47	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5140	0.000	1	119.7630	0.124	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.0120	0.000	1	119.7630	0.124	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9320	0.000	1	119.9320	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9227	0.425	3	118.9227	0.180	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7053	0.437	7	120.1002	0.229	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2976	0.371	14	120.1002	0.229	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.2430	0.000	1	120.4850	0.117	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.7270	0.000	1	120.4850	0.117	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2720	0.184	2	119.0965	1.868	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]CH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.9210	0.208	2	119.0965	1.868	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	117.5970	0.000	1	119.6166	2.035	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.3780	0.000	1	119.6166	2.035	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.5760	0.000	1	119.6166	2.035	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7660	0.349	2	119.6166	2.035	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]CO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]CO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	120.2910	0.000	1	120.2910	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	118.9010	0.000	2	118.6098	0.168	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6440	0.316	3	118.6098	0.168	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CC[6a]HO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.9250	0.000	1	118.6098	0.168	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<5>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|N<5>}	120.7000	0.023	2	120.3904	0.357	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.1590	0.149	3	120.3904	0.357	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	119.5425	0.318	6	120.3904	0.357	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<5>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|N<5>}	119.6950	0.000	2	120.3904	0.357	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.8045	0.197	2	120.3904	0.357	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.8847	0.352	4	120.3904	0.357	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.9210	0.000	1	120.3904	0.357	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.5900	0.240	4	120.3904	0.357	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.4670	0.122	4	120.3904	0.357	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|C<4>,2|N<3>}	120.6910	0.000	1	120.3904	0.357	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.7620	0.167	2	120.3904	0.357	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.4600	0.000	1	120.3904	0.357	32	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3885	0.054	2	119.0057	0.622	64	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.3273	0.960	15	119.0057	0.622	64	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2985	0.510	39	119.0057	0.622	64	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.8590	0.243	4	119.0057	0.622	64	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8420	0.000	1	119.0057	0.622	64	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0950	0.000	1	119.0057	0.622	64	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	117.8335	1.470	2	119.0057	0.622	64	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4925	0.800	2	119.2144	1.842	9	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1107	2.024	3	119.2144	1.842	9	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1532	1.379	4	119.2144	1.842	9	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.5410	0.000	1	119.3903	0.287	48	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8773	0.519	3	119.3903	0.287	48	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	119.1670	0.000	1	119.3903	0.287	48	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.5390	0.000	1	119.3903	0.287	48	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.2467	0.470	23	119.3903	0.287	48	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|O<2>}	119.8285	0.347	4	119.3903	0.287	48	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.2862	0.470	5	119.3903	0.287	48	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.8436	0.464	10	119.3903	0.287	48	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.6898	0.221	4	119.6333	0.118	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5957	0.423	6	119.6333	0.118	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.4143	0.386	3	118.4143	0.149	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.6534	0.358	7	119.8105	0.812	33	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.3873	0.460	6	119.8105	0.812	33	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0613	1.181	16	119.8105	0.812	33	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4430	0.000	1	119.8105	0.812	33	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8083	0.649	3	119.8105	0.812	33	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CRu2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CRu2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7613	0.527	3	119.7613	0.278	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CRuHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CRuHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.4260	0.576	3	120.4260	0.331	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSeHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0823	0.626	3	120.0823	0.391	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.1968	0.242	4	120.1996	0.044	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CSiHH){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|C<5>,1|N<3>}	120.2110	0.000	1	120.1996	0.044	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sm<9>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Sm)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Sm<9>,1|C<4>,2|N<3>}	118.8190	0.000	1	118.8190	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]NO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CC[6a]NO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3150	0.000	1	119.3150	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.9105	0.187	2	119.0038	0.046	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<6>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Sn<6>,1|C<4>,2|N<3>}	119.0505	0.237	4	119.0038	0.046	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.0240	0.088	2	119.0240	0.008	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CPbSnP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CPbSnP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9002	1.240	4	119.9002	1.537	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CSn2P)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sn)(C[6]C[6]H)(CSn2P){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2957	1.026	4	120.2957	1.053	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Sr)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Sr<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Sr)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9015	0.364	2	119.9015	0.133	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ta)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ta<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ta)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1050	0.000	1	120.1050	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Tc)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Tc<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Tc)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9520	0.274	2	119.7913	0.340	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Tc)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Tc<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Tc)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7110	0.718	4	119.7913	0.340	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ti<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.4190	0.741	2	119.2850	0.152	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ti<8>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Ti<8>,1|C<4>,1|N<3>,1|O<2>}	119.2180	0.230	4	119.2850	0.152	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<9>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Yb<9>,1|C<4>,2|N<3>}	119.5910	0.000	1	119.5910	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<13>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7657	0.437	6	118.9374	0.365	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Yb<14>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Yb)(C[6]C[6]H)(CHHN){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Yb<14>,1|C<4>,1|C<5>,1|N<3>}	119.9680	0.000	1	118.9374	0.365	7	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1735	0.183	2	120.1735	0.034	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9227	0.510	16	120.0261	0.237	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.3980	0.115	2	120.0261	0.237	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3525	0.329	2	120.0261	0.237	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2840	0.000	1	120.0261	0.237	21	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7540	1.113	3	118.8340	0.712	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.5464	0.597	5	118.8340	0.712	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CCHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3933	0.961	3	118.8340	0.712	11	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]CH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4715	0.887	2	119.4715	0.788	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.2795	1.896	2	121.1297	1.864	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.8300	0.000	1	121.1297	1.864	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.0910	0.112	2	119.5430	0.133	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7690	0.118	4	119.5430	0.133	6	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]2O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.4800	0.580	3	118.4800	0.336	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2365	0.203	2	119.2365	0.041	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5465	0.264	2	118.5465	0.070	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]OO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6]OO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.0065	0.315	2	118.0065	0.099	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]CO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]CO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6865	0.445	2	119.6865	0.198	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4502	0.320	4	119.4126	0.084	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CC[6a]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2620	0.000	1	119.4126	0.084	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.7317	0.485	3	119.9961	0.383	49	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9083	0.886	3	119.9961	0.383	49	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.5984	0.679	20	119.9961	0.383	49	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.3879	0.174	23	119.9961	0.383	49	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>}	119.1070	0.308	2	119.1070	0.095	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4341	0.618	27	119.0560	0.528	261	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.3445	0.823	4	119.0560	0.528	261	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	117.7730	0.245	3	119.0560	0.528	261	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.3035	0.514	19	119.0560	0.528	261	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<3>}	118.6035	0.435	4	119.0560	0.528	261	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1866	0.698	108	119.0560	0.528	261	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.3566	0.568	12	119.0560	0.528	261	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.4567	0.386	10	119.0560	0.528	261	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.0382	0.410	5	119.0560	0.528	261	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0291	0.719	66	119.0560	0.528	261	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6320	0.585	3	119.0560	0.528	261	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8425	0.084	2	119.0933	0.192	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.5950	0.000	1	119.0933	0.192	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.2940	0.223	2	119.0972	0.842	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.5866	0.457	7	119.0972	0.842	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHP){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	117.2780	0.000	1	119.0972	0.842	10	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5050	0.000	1	118.9625	0.161	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.6585	0.005	2	118.9625	0.161	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0280	0.000	1	118.9625	0.161	4	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7350	0.000	1	118.7350	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7670	0.000	1	119.8215	0.006	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8760	0.000	1	119.8215	0.006	2	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[5]HS){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7130	0.000	1	118.7130	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	118.1120	0.000	1	118.4340	0.264	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.2633	0.292	3	118.4340	0.264	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	119.2680	0.000	1	118.4340	0.264	5	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CN[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0540	0.000	1	119.0540	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CSeHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CSeHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8420	0.133	3	119.8420	0.018	3	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zr<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<9>,1|C<4>,1|N<3>}	119.7460	0.000	1	119.7460	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]H)(CC[6a]HH){2|Cl<1>,1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3400	0.000	1	119.3400	0.000	1	119.3247	0.783	6022	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]N[6]C)(C[6]N[6]H)(H){2|Cu<4>,1|C<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	118.7300	0.000	1	118.7300	0.000	1	118.7300	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCoCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(NCoCN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<4>,2|N<3>}	115.8450	0.000	1	115.8450	0.000	1	117.9548	1.983	4	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NNi2C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(NNi2C){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|N<4>,2|N<3>}	118.6225	0.076	2	118.6225	0.006	2	117.9548	1.983	4	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRuHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRuHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|N<4>}	118.7290	0.000	1	118.7290	0.000	1	117.9548	1.983	4	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Ag)(C[6]C[6]H)(PC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Ag<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.3923	0.871	3	118.3923	0.759	3	118.6768	0.555	69	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(PC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.2393	0.180	3	118.2393	0.032	3	118.6768	0.555	69	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2Cu)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2Cu){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	118.4763	0.069	3	118.4763	0.005	3	118.6768	0.555	69	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.4507	0.472	21	118.4507	0.222	21	118.6768	0.555	69	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2S)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]2S){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.5342	0.821	9	118.5342	0.673	9	118.6768	0.555	69	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.0367	0.940	18	119.0367	0.883	18	118.6768	0.555	69	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CuO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(PC[6]CuO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.5060	0.054	2	118.5060	0.003	2	118.6768	0.555	69	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6]2O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6]2O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.2433	0.074	3	119.2433	0.005	3	118.6768	0.555	69	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6a]2N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(PC[6a]2N){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|P<4>}	119.0533	0.598	4	119.0533	0.357	4	118.6768	0.555	69	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(PC[6]2Mo)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(PC[6]2Mo){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	119.3085	0.134	2	119.3085	0.018	2	118.6768	0.555	69	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(PC[6a]2N)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(PC[6a]2N){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	116.8700	0.000	1	116.8700	0.000	1	118.6768	0.555	69	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(SNi3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(SNi3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|S<4>}	117.8057	0.106	3	117.8057	0.011	3	117.8057	0.011	3	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Al)(C[6]C[6]H)(SiC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]H)(SiC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|H<1>,1|N<3>}	121.2130	0.000	1	121.2130	0.000	1	120.6441	0.622	19	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(SiC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(SiC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|H<1>,1|N<3>}	120.8220	1.823	2	120.8220	3.323	2	120.6441	0.622	19	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(SiC[6]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(SiC[6]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|H<1>,1|N<3>}	120.5339	0.750	10	120.5863	0.495	16	120.6441	0.622	19	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(SiC[6]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(SiC[6]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|H<1>,1|N<3>}	120.6735	0.677	6	120.5863	0.495	16	120.6441	0.622	19	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[5,6,6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H)	C[6](P[5,6,6]C[5,3x6]P[3,5,6])(C[6]C[6]H)(SiC3)	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H)	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|P<3>}	C[6](P[5,6,6]C[5,3x6]P[3,5,6])(C[6]C[6]H)(SiC3){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|P<3>}	124.6910	0.000	1	124.6910	0.000	1	124.6910	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]C)(H)	C[6](P[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](P[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|O<2>,1|P<3>}	123.9145	0.370	2	123.9145	0.137	2	123.9145	0.137	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[6]Si)(C[6]C[6]H)(H)	C[6](P[6]C[6]Ru)(C[6]C[6]H)(SiC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]P[6]Si)(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>}	C[6](P[6]C[6]Ru)(C[6]C[6]H)(SiC3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|P<3>,1|P<4>}	128.5870	0.397	3	128.5870	0.158	3	128.5870	0.158	3	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O){1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	118.2195	0.153	2	118.2195	0.024	2	118.2195	0.024	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(O)	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(O){1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6,6a]O[6])(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O){2|C<4>,3|C<3>}	119.8110	0.495	6	119.8110	0.245	6	119.8110	0.245	6	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	118.3306	0.226	5	118.3306	0.051	5	118.1681	0.170	9	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	117.9650	0.536	4	117.9650	0.287	4	118.1681	0.170	9	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(H){1|C<3>,1|O<2>,3|C<4>}	118.7700	0.000	1	118.7700	0.000	1	118.7700	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(H){1|C<3>,1|O<2>,5|C<4>}	118.5070	0.000	1	118.5070	0.000	1	118.5070	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,1|O<1>}	118.4910	0.000	1	118.4910	0.000	1	117.8327	0.833	3	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,1|O<1>}	118.2160	0.000	1	118.2160	0.000	1	117.8327	0.833	3	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,2|O<2>}	116.7910	0.000	1	116.7910	0.000	1	117.8327	0.833	3	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	121.2600	0.000	1	121.2600	0.000	1	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|O<1>}	119.9475	0.532	2	119.9475	0.284	2	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	120.0240	0.000	1	120.0240	0.000	1	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	118.6940	0.000	1	118.6940	0.000	1	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	118.9014	1.325	8	118.9014	1.756	8	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	119.0387	0.963	3	119.0387	0.928	3	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>}	121.0290	0.454	2	121.0290	0.206	2	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	118.4924	0.307	8	118.4924	0.094	8	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	119.0790	0.572	3	119.0790	0.327	3	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	119.6820	0.000	1	119.6820	0.000	1	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>}	120.2397	0.912	6	120.2397	0.832	6	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<2>}	117.2840	0.000	1	118.4119	0.261	27	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	118.4552	0.467	26	118.4119	0.261	27	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|O<1>}	119.3590	0.000	1	119.3590	0.000	1	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>}	118.1270	0.000	1	118.1270	0.000	1	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	118.7670	0.413	3	118.7670	0.171	3	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<2>}	118.6800	0.000	1	118.6800	0.000	1	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|C<4>}	116.5550	0.000	1	117.0363	0.531	3	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	117.2770	0.846	2	117.0363	0.531	3	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	117.6830	0.000	1	117.6830	0.000	1	118.8347	1.086	73	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	119.9070	0.000	1	119.9070	0.000	1	119.2770	1.006	7	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	119.2370	0.000	1	119.2370	0.000	1	119.2770	1.006	7	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	119.1673	1.567	3	119.1673	2.456	3	119.2770	1.006	7	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[6]O)(C[6]C[6]S)(CC3){1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|S<2>}	119.1465	0.808	2	119.1465	0.653	2	119.2770	1.006	7	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(PC[6a]3)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(PC[6a]3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|P<4>}	114.3380	0.000	1	114.3380	0.000	1	114.3380	0.000	1	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(SO3)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(SO3){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<4>}	117.8520	0.970	2	117.8520	0.941	2	117.8520	0.941	2	119.5063	1.303	7379	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]F)(CN)	C[6](C[6]C[6]C)2(F){1|C<3>,2|C<2>}	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(CN){1|C<3>,1|C<4>,1|O<1>}	121.7380	0.000	1	121.7380	0.000	1	121.7380	0.000	1	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[5,6]C)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[6](N[6]C[5,6]Co)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[5,6]C)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]Co)(C[6]C[6]H)(NC[5a]){1|C<3>,2|C<4>}	122.0385	0.742	2	122.0385	0.550	2	121.9623	0.293	3	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[5,6]C)(C[6]N[6]N)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[6](N[6]C[5,6]Ir)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[5,6]C)(C[6]N[6]N)(H){1|Ir<8>,1|C<3>,1|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]Ir)(C[6]C[6]H)(NC[5a]){1|C<3>,2|C<4>}	121.8100	0.000	1	121.8100	0.000	1	121.9623	0.293	3	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<2>,1|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|C<4>}	119.9920	0.000	1	119.9920	0.000	1	119.9920	0.000	1	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(NC[5a])	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(NC[5a]){1|C<3>,2|C<4>}	122.8000	1.392	2	122.8000	1.937	2	122.6086	0.737	13	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(NC[6a])	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(NC[6a]){1|C<3>,2|C<4>}	123.1783	0.420	6	123.1783	0.176	6	122.6086	0.737	13	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(NO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NO){1|C<3>,1|C<4>,1|H<1>}	122.4730	0.000	1	122.4730	0.000	1	122.6086	0.737	13	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)2(NO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(NO){1|C<3>,2|C<4>}	121.6923	0.459	4	121.6923	0.211	4	122.6086	0.737	13	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|O<2>,2|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<4>,2|C<3>}	122.4330	0.000	1	122.4330	0.000	1	123.1004	0.597	7	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)2(OC){1|C<3>,3|C<4>}	124.2010	0.322	2	124.2010	0.104	2	123.1004	0.597	7	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)2(OC){1|C<3>,3|C<4>}	122.7170	0.081	4	122.7170	0.007	4	123.1004	0.597	7	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(SC[6a])	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(SC[6a]){1|C<3>,1|O<2>,2|C<4>}	124.6740	0.000	1	124.6740	0.000	1	122.1588	2.137	5	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(SB)	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[6]H)2(SB){1|C<3>,2|C<4>}	121.5300	0.462	4	121.5300	0.214	4	122.1588	2.137	5	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|N<3>,2|C<4>}	121.8390	0.000	1	121.8390	0.000	1	121.3491	0.802	17	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<4>}	120.4005	0.172	6	120.4005	0.030	6	121.3491	0.802	17	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)2(OZn)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OZn){1|N<3>,2|C<4>}	122.0751	0.554	8	122.0751	0.307	8	121.3491	0.802	17	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC[6]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>}	120.5480	0.000	1	120.5480	0.000	1	121.3491	0.802	17	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CCHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>}	121.5440	0.000	1	121.5440	0.000	1	121.3491	0.802	17	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(CN){1|C<4>,1|H<1>,1|N<3>}	118.0590	0.000	1	118.0590	0.000	1	119.7483	2.148	3	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ga)(C[6]C[6]H)(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CC){1|N<3>,2|C<4>}	120.5930	0.124	2	120.5930	0.015	2	119.7483	2.148	3	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[3]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](N[6]C[3]C[6])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe){1|C<3>,1|C<4>,1|N<3>}	121.1613	0.413	3	121.1613	0.171	3	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	118.0720	0.000	1	118.0720	0.000	1	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|N<3>}	119.7130	0.279	2	119.8155	0.119	4	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|N<3>}	119.9180	0.486	2	119.8155	0.119	4	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(OP)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OP){1|N<3>,2|C<4>}	118.3270	0.000	1	118.3270	0.000	1	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	118.1410	0.600	2	118.1410	0.360	2	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(OP)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OP){1|N<3>,2|C<4>}	117.7440	0.000	1	117.7440	0.000	1	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	118.7840	0.573	4	118.7840	0.328	4	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|N<3>}	118.4665	0.120	2	118.4665	0.014	2	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	120.0185	0.226	2	120.0185	0.051	2	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<4>}	118.4895	0.252	2	118.4895	0.064	2	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	119.4365	0.832	2	118.7068	0.605	6	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHS){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	118.3420	0.495	4	118.7068	0.605	6	119.0892	1.107	28	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(O)	C[6](C[6,6]C[3x6]O[6])(C[6]C[6]O)(CH3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[3x6]O[6])(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(OH){1|H<1>,2|C<3>,3|C<4>}	118.7155	0.221	2	118.7155	0.049	2	118.7155	0.049	2	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(OH){1|C<3>,6|C<4>}	118.6777	0.374	3	118.6777	0.140	3	119.1340	0.705	5	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O){3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(OH){2|C<3>,5|C<4>}	119.8185	0.989	2	119.8185	0.979	2	119.1340	0.705	5	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC){1|C<3>,2|C<4>}	118.1790	0.694	2	118.1790	0.482	2	118.6045	2.050	4	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a])	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]){1|C<3>,2|C<4>}	117.4580	0.000	1	117.4580	0.000	1	118.6045	2.050	4	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]O)2(NO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]O)2(NO){1|C<3>,1|C<4>,1|N<3>}	120.6020	0.000	1	120.6020	0.000	1	118.6045	2.050	4	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|O<1>}	119.6010	0.000	1	119.6010	0.000	1	119.6010	0.000	1	120.6425	3.409	90	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(C[6]C[6]H)	C[6](C[6]C[5a]N[6])(C[6]C[6,6a]C)(H){1|Ir<6>,1|S<2>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6,6a]Ir)(C[6]C[6]H){1|C<4>,4|C<3>}	121.1990	0.550	4	121.1990	0.303	4	121.1990	0.303	4	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[4a]H)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(CC[4a]H){1|C<4>,2|C<3>}	123.1580	0.000	1	123.1580	0.000	1	123.1580	0.000	1	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|C<3>,2|C<4>}	123.3645	0.212	4	123.3645	0.045	4	123.3645	0.045	4	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	122.1665	0.555	2	122.2130	0.272	4	122.7457	3.544	44	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	122.2595	0.706	2	122.2130	0.272	4	122.7457	3.544	44	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]2){1|C<3>,2|C<4>}	123.7489	0.241	8	123.7489	0.058	8	122.7457	3.544	44	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(CC[6a]H)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|C<4>}	123.4140	0.201	2	123.4140	0.040	2	122.7457	3.544	44	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	123.5970	0.670	2	123.5970	0.449	2	122.7457	3.544	44	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]2){1|C<3>,2|C<4>}	123.3065	0.544	2	123.3065	0.296	2	122.7457	3.544	44	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)2(H){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>}	114.7465	0.629	2	116.6307	10.848	3	122.7457	3.544	44	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){3|C<3>}	C[6](C[6]C[6]H)2(CCC){1|C<4>,2|C<3>}	120.3990	0.000	1	116.6307	10.848	3	122.7457	3.544	44	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]2){1|C<3>,2|C<4>}	123.0403	0.172	15	123.0403	0.029	15	122.7457	3.544	44	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)2(CC[6a]H)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|C<4>}	123.2963	0.456	4	123.2963	0.208	4	122.7457	3.544	44	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	123.1627	0.170	4	123.1627	0.029	4	122.7457	3.544	44	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	120.1535	0.115	2	120.1535	0.013	2	120.1723	0.266	7	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(NOO){1|C<4>,2|C<3>}	119.6190	0.000	1	119.6190	0.000	1	120.1723	0.266	7	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|N<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|C<4>}	120.3200	0.629	4	120.3200	0.395	4	120.1723	0.266	7	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:P-3:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(PC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|P<3>}	C[6](C[6]C[6]H)2(PC[6a]2){1|C<3>,2|C<4>}	122.2910	0.471	2	122.2910	0.222	2	122.2910	0.222	2	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:S-3:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(SMo2)	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]H)2(SMo2){1|C<3>,2|C<4>}	122.2265	0.081	2	122.2265	0.007	2	122.2265	0.007	2	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	P-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](PC[6a]C[6])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|P<3>,2|C<3>}	C[6](PC[6a]C[6])(C[6]C[6]H)2{1|C<4>,2|C<3>}	121.5550	1.014	2	121.5550	1.028	2	121.5550	1.028	2	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(PTiCC)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(PTiCC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|P<4>}	122.1080	0.000	1	122.1080	0.000	1	122.1080	0.000	1	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(SO3)	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(SO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|S<4>}	121.3070	0.000	1	121.3070	0.000	1	121.3070	0.000	1	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SO3)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SO3){1|C<3>,2|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|N<3>,1|S<4>}	119.2260	0.000	1	119.2260	0.000	1	119.2260	0.000	1	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	B[5]-3:C[6]-3:C[6]-3:	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	C[6](B[5]O[5]2)(C[6]C[6]H)2{1|N<3>,4|C<4>}	120.7870	0.031	2	120.7870	0.001	2	120.7870	0.001	2	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|C<4>}	122.1022	0.382	12	122.1022	0.146	12	122.1381	0.289	15	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]C){1|N<3>,2|C<4>}	122.8775	0.477	2	122.8775	0.228	2	122.1381	0.289	15	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	121.0900	0.000	1	121.0900	0.000	1	122.1381	0.289	15	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<4>,1|H<1>,1|N<3>}	119.3010	0.000	1	119.3010	0.000	1	119.3010	0.000	1	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-3:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|S<1>}	119.5570	0.000	1	119.5570	0.000	1	119.5570	0.000	1	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|H<1>,1|N<3>,1|P<4>}	119.7110	0.000	1	119.7110	0.000	1	119.7110	0.000	1	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[4,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]N[4,6]C)(C[6]C[6]N)(H)	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC)	C[6](C[6]N[4,6]C)(C[6]C[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[4,6]C[4,6]B[4])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC){1|N<3>,2|C<4>}	121.4030	0.000	1	121.4030	0.000	1	121.4030	0.000	1	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	B[5]-3:C[6]-3:C[6]-3:	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>,2|O<2>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|B<3>,1|C<3>,1|C<4>}	C[6](B[5]O[5]2)(C[6]C[6]H)2{1|N<3>,4|C<4>}	120.3510	0.773	4	120.5203	0.430	6	120.5203	0.430	6	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	B[5]-3:C[6]-3:C[6]-3:	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>,2|O<2>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|B<3>,1|C<3>,1|C<4>}	C[6](B[5]O[5]2)(C[6]C[6]H)2{1|N<3>,4|C<4>}	120.8590	0.112	2	120.5203	0.430	6	120.5203	0.430	6	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	118.9710	0.000	1	118.9710	0.000	1	119.4274	0.151	7	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	119.6310	0.000	1	119.6310	0.000	1	119.4274	0.151	7	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	119.1620	0.543	2	119.1620	0.295	2	119.4274	0.151	7	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	119.7730	0.000	1	119.7730	0.000	1	119.4274	0.151	7	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	119.6050	0.000	1	119.6050	0.000	1	119.4274	0.151	7	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CHHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	119.6880	0.000	1	119.6880	0.000	1	119.4274	0.151	7	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	120.5670	0.000	1	120.5670	0.000	1	120.2084	1.190	19	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCO){1|C<4>,1|H<1>,1|N<3>}	118.0020	0.000	1	118.0020	0.000	1	120.2084	1.190	19	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	121.6845	0.353	2	121.4780	0.190	3	120.2084	1.190	19	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	121.0650	0.000	1	121.4780	0.190	3	120.2084	1.190	19	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	120.1760	0.025	2	120.1760	0.001	2	120.2084	1.190	19	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<4>}	120.4190	0.417	2	120.4190	0.174	2	120.2084	1.190	19	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	120.4810	0.000	1	120.4810	0.000	1	120.2084	1.190	19	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<4>,1|H<1>,1|N<3>}	117.4610	0.000	1	117.4610	0.000	1	120.2084	1.190	19	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(NHH){1|C<4>,1|H<1>,1|N<3>}	120.2700	0.295	4	120.2700	0.087	4	120.2084	1.190	19	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<4>}	120.1863	1.008	4	120.1863	1.016	4	120.2084	1.190	19	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H)	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]Co)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	120.1060	0.065	2	120.1060	0.004	2	119.9155	0.050	4	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[5]-3:	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	119.7250	0.034	2	119.7250	0.001	2	119.9155	0.050	4	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	130.4170	0.000	1	129.9980	0.351	2	129.4026	0.891	5	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CHH){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	129.5790	0.000	1	129.9980	0.351	2	129.4026	0.891	5	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,2|N<3>}	127.8820	0.000	1	128.5930	1.011	2	129.4026	0.891	5	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	129.3040	0.000	1	128.5930	1.011	2	129.4026	0.891	5	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-3:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C[6](N[6]Si[6,6]C[6a])(C[6]C[6]H)(CHH){1|N<3>,2|C<3>,3|C<4>}	129.8310	0.000	1	129.8310	0.000	1	129.4026	0.891	5	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O){1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]O)(CH3){2|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(COO){1|C<3>,3|C<4>}	119.8520	0.000	1	119.8520	0.000	1	119.8520	0.000	1	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(COO){1|C<4>,2|C<3>}	120.3040	0.000	1	120.3040	0.000	1	120.3040	0.000	1	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	120.9900	0.000	1	120.9900	0.000	1	118.4521	2.502	15	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	118.1905	1.648	4	118.1905	2.717	4	118.4521	2.502	15	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|C<4>}	120.3200	0.212	2	120.3200	0.045	2	118.4521	2.502	15	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]C)2(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<4>,2|C<3>}	C[6](C[6]C[6]O)2(CHN){1|C<3>,2|C<4>}	118.1017	0.936	4	118.1017	0.876	4	118.4521	2.502	15	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	117.2680	0.000	1	117.2680	0.000	1	118.4521	2.502	15	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO){1|C<3>,2|C<4>}	116.5600	0.387	2	116.5600	0.150	2	118.4521	2.502	15	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(O){1|C<4>,2|O<2>}	C[6](C[6]C[6]O)2(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	119.5950	0.000	1	119.5950	0.000	1	118.4521	2.502	15	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|C<4>,1|O<1>}	118.9000	0.000	1	118.9000	0.000	1	118.3880	0.524	2	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|C<4>}	117.8760	0.000	1	117.8760	0.000	1	118.3880	0.524	2	121.4353	6.044	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:Br-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(Br)	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]Br)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]Br)2(CH3){1|C<4>,2|N<3>}	122.5475	0.302	2	122.5475	0.091	2	122.5475	0.091	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,5]N[5,6])(C[6]C[6]H)(CH3){1|Fe<10>,1|B<4>,1|C<3>,3|C<4>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|C<4>}	122.3760	0.208	2	122.3760	0.043	2	123.2852	1.613	4	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CC3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CC3){1|C<3>,1|O<2>,1|P<4>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|O<2>,2|C<4>}	125.0570	0.000	1	125.0570	0.000	1	123.2852	1.613	4	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	123.3320	0.000	1	123.3320	0.000	1	123.2852	1.613	4	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H)	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3)	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[5a,6]C[5a,6]O[5a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	123.8960	0.000	1	123.8960	0.000	1	124.1260	0.106	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5a,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3)	C[6](N[6]N[5a,6]Ir)(C[6]C[6]H)(CH3)	C[6](C[6]C[5a,6]C)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]N[5a,6]Ir)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	124.3560	0.000	1	124.3560	0.000	1	124.1260	0.106	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|B<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]B[6])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	121.3470	0.000	1	121.3470	0.000	1	121.3470	0.000	1	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H){1|Co<6>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Co)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	121.4420	0.187	2	121.4420	0.035	2	120.9187	0.839	3	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]N[6]C)(H){1|Cu<3>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	119.8720	0.000	1	119.8720	0.000	1	120.9187	0.839	3	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	121.7665	0.185	2	121.6158	0.090	9	121.4978	0.148	13	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	121.5727	0.324	7	121.6158	0.090	9	121.4978	0.148	13	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|Rh<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6,6a]Rh)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	121.7860	0.000	1	121.7860	0.000	1	121.4978	0.148	13	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH)	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(H){1|Pd<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CN[6]HH){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Pd)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	121.0480	0.347	3	121.0480	0.121	3	121.4978	0.148	13	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]B[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|B<4>,2|H<1>}	C[6](C[6]B[6]H)(C[6]C[6]H)(CH3){1|Mg<6>,1|C<3>,1|C<4>,1|N<4>}	C[6](C[6]B[6]H)(C[6]C[6]H)(CH3){1|Mg<6>,1|C<3>,1|C<4>,1|N<4>}	122.1680	0.321	2	122.1680	0.103	2	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	125.4945	0.128	2	125.4945	0.016	2	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	124.8673	0.076	4	124.8673	0.006	4	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	123.2290	0.000	1	123.2290	0.000	1	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|Ir<7>,1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|C<3>,2|C<4>}	121.6480	0.000	1	121.6480	0.000	1	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<2>}	125.6627	0.439	3	124.9675	0.498	17	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	124.6443	0.515	3	124.9675	0.498	17	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|O<1>}	125.1550	1.263	3	124.9675	0.498	17	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	125.6600	0.000	1	124.9675	0.498	17	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	124.6289	0.345	7	124.9675	0.498	17	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(CC[6]HH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|C<4>}	123.1996	0.307	16	123.1996	0.095	16	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(CC[6a]3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC[6a]3){1|C<3>,2|C<4>}	122.7865	0.219	4	122.7865	0.048	4	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	123.0182	0.184	4	123.0182	0.034	4	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<4>,2|C<3>}	125.0503	0.357	4	124.9288	0.169	5	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]C)2(H){1|C<3>,2|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	124.4430	0.000	1	124.9288	0.169	5	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	119.6480	0.000	1	119.6480	0.000	1	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]H)2(CC[6a]CC)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC[6a]CC){1|C<3>,2|C<4>}	122.8233	0.291	8	122.8233	0.085	8	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	123.2570	0.247	2	123.2570	0.061	2	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	123.6457	0.434	4	123.4967	0.182	7	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,2|C<4>}	123.4110	0.495	2	123.4967	0.182	7	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)2(H){1|C<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	123.0720	0.000	1	123.4967	0.182	7	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	122.7030	0.000	1	122.7030	0.000	1	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)2(CC[6a]CC)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC[6a]CC){1|C<3>,2|C<4>}	122.7305	0.960	2	122.7305	0.921	2	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	122.4755	0.247	2	122.4755	0.061	2	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	123.9010	0.000	1	123.9010	0.000	1	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	122.9795	0.166	2	122.9795	0.028	2	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	123.6600	0.000	1	123.6600	0.000	1	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|C<4>}	123.6727	0.843	3	123.5672	0.552	9	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	123.3565	0.022	2	123.5672	0.552	9	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Fe<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Fe<5>,1|C<3>,1|C<4>}	123.5935	0.978	4	123.5672	0.552	9	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pt<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pt<4>,1|C<3>,1|C<4>}	121.2930	0.000	1	121.2930	0.000	1	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	119.8100	0.778	2	119.8100	0.605	2	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	120.8730	0.000	1	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	121.7961	0.553	25	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	122.0472	0.498	4	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	121.5727	0.100	3	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<4>,1|C<3>,1|C<4>}	120.9755	0.252	2	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<6>,1|C<3>,1|C<4>}	120.7620	0.000	1	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	121.0160	0.000	1	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<6>,1|C<3>,1|C<4>}	120.3130	0.000	1	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	121.2973	0.406	20	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Hg<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Hg<4>,1|C<3>,1|C<4>}	122.0367	1.243	4	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|C<4>}	120.8940	0.018	2	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mg<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mg<4>,1|C<3>,1|C<4>}	120.5735	0.623	2	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mg<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mg<6>,1|C<3>,1|C<4>}	121.7390	0.000	1	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	121.2210	0.000	1	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mo<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mo<6>,1|C<3>,1|C<4>}	120.4540	0.143	5	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>}	120.8006	0.249	5	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	121.3382	0.438	4	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	120.8637	1.002	4	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<6>,1|C<3>,1|C<4>}	120.3280	0.694	3	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|C<4>}	121.1995	0.564	2	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ti<12>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ti<12>,1|C<3>,1|C<4>}	119.8975	0.152	2	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	121.0435	0.204	4	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|C<4>}	120.8640	0.000	1	121.2858	0.501	98	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C[6](C[6]C[6]C)2(H){1|N<3>,2|N<2>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,1|C<4>}	125.2950	0.000	1	125.2950	0.000	1	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C[6](C[6]C[6]C)2(H){1|P<2>,2|P<3>}	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|C<4>}	126.1410	0.000	1	126.1410	0.000	1	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CC3){1|U<12>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CC3){1|U<12>,1|C<3>,1|C<4>,1|N<3>}	122.5900	0.000	1	122.5900	0.000	1	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	119.5450	0.273	2	121.5424	0.755	18	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>,1|V<7>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>,1|V<7>}	121.6308	0.676	4	121.5424	0.755	18	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>,1|W<7>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>,1|W<7>}	121.7230	0.000	1	121.5424	0.755	18	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|Mo<9>,1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Mo<9>,1|C<3>,2|C<4>}	121.7620	0.000	1	121.5424	0.755	18	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|Ta<11>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|Ta<11>,1|C<3>,1|C<4>,1|N<3>}	122.0237	0.333	3	121.5424	0.755	18	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|Ta<12>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|Ta<12>,1|C<3>,1|C<4>,1|N<3>}	122.2460	0.485	2	121.5424	0.755	18	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|C<3>,1|C<4>,1|N<3>}	121.7083	0.570	4	121.5424	0.755	18	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|Zr<13>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|Zr<13>,1|C<3>,1|C<4>,1|N<3>}	121.2690	0.000	1	121.5424	0.755	18	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3){1|Ru<6>,2|C<3>,3|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Ru<6>,1|C<3>,2|C<4>}	122.2390	0.000	1	121.9925	0.122	2	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3){1|Ru<6>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|Ru<6>,1|C<3>,2|C<4>}	121.7460	0.000	1	121.9925	0.122	2	122.3511	2.273	216	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(PC[6a]3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(PC[6a]3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|P<4>}	120.8450	0.000	1	120.8450	0.000	1	120.8450	0.000	1	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]P)2(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	120.8640	0.000	1	120.8640	0.000	1	121.8040	1.767	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)2(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(PC[6a]3)	C[6](C[6]C[6]H)(C[6]O[6]O)(PC[6a]3)	C[6](C[6]C[6]P)2(H){1|O<2>,2|O<1>}	C[6](C[6]C[6]H)(C[6]O[6]O)(PC[6a]3){1|C<3>,1|P<4>}	C[6](C[6]C[6]H)(C[6]O[6]O)(PC[6a]3){1|C<3>,1|P<4>}	122.7440	0.000	1	122.7440	0.000	1	121.8040	1.767	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|S<4>}	122.2590	0.088	2	122.2590	0.008	2	122.3825	0.055	4	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|S<4>}	122.5060	0.313	2	122.5060	0.098	2	122.3825	0.055	4	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]B)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(BF3)	C[6](C[6]C[6]B)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(BF3){1|C<4>,1|H<1>,1|N<3>}	121.9640	0.000	1	121.9640	0.000	1	121.9640	0.000	1	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	122.6520	0.201	2	122.2093	0.120	10	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	122.0986	0.281	8	122.2093	0.120	10	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<4>}	121.7655	0.463	4	121.6036	0.275	7	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	121.3877	0.617	3	121.6036	0.275	7	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	120.9150	0.499	2	120.9150	0.249	2	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CCCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<4>}	120.3395	0.203	2	120.3395	0.041	2	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	121.1681	0.393	15	121.0303	0.660	42	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|N<3>}	120.3735	0.476	2	121.0303	0.660	42	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	121.0219	1.029	23	121.0303	0.660	42	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>}	120.7505	0.196	2	121.0303	0.660	42	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	120.3067	0.762	4	120.3067	0.581	4	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6]N)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	121.5255	1.119	4	121.5255	1.253	4	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|C<4>,1|N<3>}	121.0630	0.000	1	121.0630	0.000	1	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(N[6]C[6]Y)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Y<16>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]Y)(CH3){1|C<3>,1|C<4>,1|C<5>}	C[6](C[6]C[6]H)2(CH3){1|Y<16>,1|C<4>,1|C<5>,1|N<3>}	120.3820	0.204	2	120.3820	0.041	2	121.1926	0.750	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3)	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3)	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<4>}	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3){1|C<4>,1|N<3>,2|F<1>}	C[6](C[6]C[6]H)(N[6]B[6]C)(CH3){1|C<4>,1|N<3>,2|F<1>}	122.0260	0.000	1	122.0260	0.000	1	119.1381	1.324	10	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	118.8483	0.619	4	118.8172	0.331	9	119.1381	1.324	10	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>}	119.0615	0.118	4	118.8172	0.331	9	119.1381	1.324	10	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.7160	0.000	1	118.8172	0.331	9	119.1381	1.324	10	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-4:	C[6]-3:N[6]-3:N-4:	C[6](C[6]N[6]N)2(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3)	C[6](C[6]N[6]N)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3){1|N<3>,2|N<4>}	C[6](C[6]C[6]H)(N[6]C[6]H)(NH3){1|N<3>,2|N<4>}	121.7470	0.000	1	121.7470	0.000	1	121.7470	0.000	1	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)2(CHHP)	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CHHP){1|H<1>,1|N<3>,1|P<4>}	120.5135	0.124	2	120.5135	0.015	2	120.5135	0.015	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]P)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]P)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(PO3){1|H<1>,1|N<3>,1|P<4>}	120.2690	0.000	1	120.2690	0.000	1	120.2690	0.000	1	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	N[5,6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]C)2(H)	C[6](N[5,6]In[5,5,6,6]C[5,6a])(C[6]C[6]H)(CH3)	C[6](N[5,6]In[5,5,6,6]C[5,6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]C)2(H){1|In<5>,2|C<3>}	C[6](N[5,6]In[5,5,6,6]C[5,6a])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	C[6](N[5,6]In[5,5,6,6]C[5,6a])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,2|C<3>,3|N<3>}	132.7150	0.410	2	132.7150	0.168	2	132.7150	0.168	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:C-4:	O[6]-3:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H)	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3)	C[6](O[6]Ga[5,6,6]Li)(C[6]C[6]H)(CH3)	C[6](C[6]N[5,6]C)(C[6]O[6]C)(H){1|Ga<6>,1|Li<6>,1|C<4>}	C[6](N[5,6]Ga[5,6,6]C[5])(C[6]C[6]H)(CH3){1|Cl<1>,1|Li<6>,1|N<3>,2|C<4>,2|H<1>,2|O<3>}	C[6](O[6]Ga[5,6,6]Li)(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|O<3>,2|N<3>}	126.7070	0.068	2	126.7070	0.005	2	126.7070	0.005	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(H)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(H){1|C<2>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>}	123.0500	0.000	1	123.0500	0.000	1	123.0500	0.000	1	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3)	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){1|B<4>,2|C<3>}	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	122.8370	0.000	1	122.8213	0.158	3	122.8213	0.158	3	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[5a,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H)	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3)	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(H){1|B<4>,2|C<3>}	C[6](N[5a,6]C[5a,6a]B[5a,6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6](N[6]B[5a,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	122.8135	0.562	2	122.8213	0.158	3	122.8213	0.158	3	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6,6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6]C)(C[6]N[6]C)(H)	C[6](N[6,6]C[6,6a]Nb[6,6])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[6,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6,6]C)(C[6]N[6]C)(H){1|Nb<5>,2|C<3>}	C[6](N[6,6]C[6,6a]Nb[6,6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	C[6](N[6]Nb[6,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,1|O<2>,2|C<3>,2|C<4>}	129.0900	1.611	2	129.0900	2.595	2	129.0900	2.595	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	121.4160	0.000	1	120.7736	0.491	8	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	120.9947	0.106	3	120.7736	0.491	8	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	120.4472	0.900	4	120.7736	0.491	8	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	119.8310	0.000	1	119.0700	1.158	2	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	118.3090	0.000	1	119.0700	1.158	2	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(CN[6]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	120.4010	0.669	3	120.4010	0.448	3	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CF3){1|N<3>,2|C<4>}	119.1833	0.290	4	119.1833	0.084	4	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CC[6]2C){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	120.4700	0.386	2	120.4700	0.149	2	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	121.0160	0.000	1	121.0160	0.000	1	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CF3){1|N<3>,2|C<4>}	117.8490	0.000	1	117.8490	0.000	1	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	119.6770	0.000	1	119.8765	0.080	2	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	120.0760	0.000	1	119.8765	0.080	2	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	120.7105	0.421	2	120.7105	0.177	2	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	121.5648	0.936	4	121.5648	0.877	4	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|C<4>,1|N<3>}	118.7940	0.000	1	118.7940	0.000	1	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	121.3670	1.010	5	121.3670	1.019	5	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<4>}	121.3500	0.000	1	121.3500	0.000	1	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	121.5030	0.000	1	120.8153	0.413	3	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	120.4715	0.342	2	120.8153	0.413	3	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(CHHP){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<4>}	121.1400	0.000	1	121.1400	0.000	1	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	121.7980	0.000	1	121.7980	0.000	1	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	121.3346	1.069	20	121.3346	1.142	20	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]H)(CHHO){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	120.5707	0.964	3	120.5707	0.930	3	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|N<3>,1|O<2>}	120.4350	0.345	3	120.4350	0.119	3	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	120.8173	0.649	6	120.8173	0.421	6	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](N[6]C[6a]S[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]S[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](N[6]C[6a]S[6])(C[6]C[6]H)(CH3){1|C<4>,2|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]S[6]H)(CH3){1|C<4>,1|N<3>,2|O<1>}	123.4450	0.000	1	123.4450	0.000	1	120.8098	1.231	74	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<1>}	119.7683	0.483	3	119.7683	0.233	3	119.7683	0.233	3	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[4,6]-3:C[6]-3:C-4:	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H)	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3)	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H){1|Nb<5>,1|C<3>,1|C<4>}	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3){1|N<2>,2|N<3>,4|C<4>}	127.1380	0.000	1	127.0985	0.003	2	127.0985	0.003	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[4,6]-3:C[6]-3:C-4:	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H)	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3)	C[6](C[6]N[4,6]C)(C[6]N[6]C)(H){1|Nb<5>,1|C<3>,1|C<4>}	C[6](N[6]Nb[4,6]C[6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>,2|N<2>}	C[6](N[4,6]Nb[4,6]C[4])(C[6]C[6]H)(CH3){1|N<3>,2|N<2>,4|C<4>}	127.0590	0.000	1	127.0985	0.003	2	127.0985	0.003	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN)	C[6](C[6]N[6]C)2(H){2|Fe<6>,1|C<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|N<3>}	117.0135	0.680	2	117.0135	0.462	2	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){2|Mn<6>,1|C<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	121.1490	0.000	1	121.1490	0.000	1	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|B<3>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	122.9840	0.000	1	122.9840	0.000	1	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H){1|B<3>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,2|C<3>}	127.5600	0.000	1	126.2076	1.609	5	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|F<1>,1|N<3>,1|O<2>,2|C<3>}	126.4850	0.537	2	126.2076	1.609	5	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	126.3370	0.000	1	126.2076	1.609	5	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CC3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	124.1710	0.000	1	126.2076	1.609	5	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|B<3>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	123.1980	0.000	1	122.6168	1.399	6	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|B<3>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	122.7840	0.000	1	122.6168	1.399	6	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|F<1>}	122.0000	0.000	1	122.6168	1.399	6	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	120.5330	0.000	1	122.6168	1.399	6	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Br<1>,1|C<4>,1|N<3>,2|C<3>}	123.5620	0.000	1	122.6168	1.399	6	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|B<4>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	123.6240	0.000	1	122.6168	1.399	6	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Cr<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	117.5680	0.000	1	117.5680	0.000	1	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H){1|Ga<2>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	132.9810	0.000	1	131.3252	1.315	4	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	131.2070	0.000	1	131.3252	1.315	4	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<3>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<3>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	130.4900	0.000	1	131.3252	1.315	4	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CC3){1|Ga<4>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	130.6230	0.000	1	131.3252	1.315	4	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<2>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	127.7410	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Al<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Al<4>,1|C<4>,1|N<3>,2|C<3>}	127.7510	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|N<3>,2|C<3>}	128.3800	0.252	2	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|W<6>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|W<6>,2|C<3>}	127.9145	0.872	2	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Co<4>,1|C<4>,1|N<3>,2|C<3>}	128.6140	0.065	2	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ga<4>,1|C<4>,1|N<3>,2|C<3>}	127.8800	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ni<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ni<5>,1|C<4>,1|N<3>,2|C<3>}	127.3130	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ni<7>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Ni<7>,1|C<4>,1|N<3>,2|C<3>}	127.8613	0.386	3	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Rh<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Rh<4>,1|C<4>,1|N<3>,2|C<3>}	127.8900	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|As<3>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|As<3>,1|N<3>,2|C<3>,2|C<4>}	129.3890	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Bi<3>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Bi<3>,1|N<3>,2|C<3>,2|C<4>}	128.3940	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	128.1387	0.365	3	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|I<1>,1|N<3>,1|P<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|I<1>,1|N<3>,1|P<4>,2|C<3>}	128.7220	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	129.1570	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,1|P<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,1|P<3>,2|C<3>}	128.8750	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	129.1290	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<2>}	128.3800	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<2>,2|C<3>,2|N<3>}	128.5190	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|P<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|C<4>,1|P<2>,2|C<3>,2|N<3>}	127.6830	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	128.9050	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	128.2100	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Co<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Co<5>,1|C<4>,1|N<3>,2|C<3>}	129.3350	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|N<3>,2|C<3>,2|C<4>}	128.5820	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Rh<9>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Rh<9>,1|C<4>,1|N<3>,2|C<3>}	126.7690	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Sb<3>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Sb<3>,1|C<4>,1|N<3>,2|C<3>}	128.4017	0.465	3	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Si<4>,1|C<4>,1|N<3>,2|C<3>}	129.5660	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Sn<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Sn<4>,1|C<4>,1|N<3>,2|C<3>}	127.5215	0.166	2	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<3>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<3>,1|N<3>,2|C<3>,2|C<4>}	128.8685	0.028	2	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<4>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|In<4>,1|N<3>,2|C<3>,2|C<4>}	128.1950	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	128.0503	0.478	4	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<4>,3|C<3>}	128.7410	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Rh<9>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Rh<9>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	127.9260	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Te<2>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Te<2>,1|N<3>,2|C<3>,2|C<4>}	128.0420	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Zn<2>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){1|Zn<2>,1|N<3>,2|C<3>,2|C<4>}	127.6795	0.252	2	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	129.3500	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Ni<5>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Ni<5>,1|C<4>,1|N<3>,2|C<3>}	127.8080	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Te<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Te<2>,1|C<4>,1|N<3>,2|C<3>}	130.6630	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Te<3>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6]H)(CH3){2|Te<3>,1|C<4>,1|N<3>,2|C<3>}	128.4440	0.000	1	128.3155	0.481	53	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CBHH){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	128.7160	0.000	1	128.7160	0.000	1	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3)	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CC3){1|C<4>,1|N<3>,2|C<3>}	131.7130	0.000	1	131.7130	0.000	1	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CGe[4]HH)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CGe[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	126.7850	0.000	1	126.7850	0.000	1	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<2>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	127.4960	0.000	1	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>}	127.9060	0.000	1	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	127.2960	0.000	1	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>}	126.8900	0.143	3	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	126.4637	0.830	10	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<1>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<1>,2|C<3>}	127.4430	0.000	1	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,2|C<3>}	126.7860	0.587	5	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,3|C<3>}	127.6467	0.309	6	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,2|N<3>}	127.4258	0.759	4	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ge<3>,1|C<4>,1|N<3>,2|C<3>}	126.7020	0.000	1	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,2|C<4>}	125.9420	0.000	1	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,2|C<3>}	126.6887	0.650	3	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Te<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Te<2>,1|C<4>,1|N<3>,2|C<3>}	126.3150	0.000	1	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ag<2>,1|C<4>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Ag<2>,1|C<4>,1|N<3>,3|C<3>}	128.5390	0.000	1	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<3>,1|S<1>,2|C<3>}	127.5310	0.000	2	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|S<1>,1|S<2>,2|C<3>}	127.2180	0.564	2	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|S<1>,2|C<3>}	127.6740	0.000	2	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|W<6>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,1|W<6>,2|C<3>}	128.0830	0.000	1	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Se<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|Se<1>,1|C<4>,1|N<3>,2|C<3>}	128.2150	0.000	1	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Fe<5>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Fe<5>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	126.7010	0.000	1	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Mn<8>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Mn<8>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	127.2690	0.000	1	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	126.6670	0.000	2	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|P<3>,2|C<3>}	127.4410	0.355	3	127.0981	0.528	54	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CHHP){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	127.7260	0.874	2	127.7260	0.764	2	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH)	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CSi[4]HH){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Ge[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	126.8180	0.000	1	126.8180	0.000	1	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|In<2>,2|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>}	129.7040	0.243	2	130.7025	1.011	12	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Bi<3>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Bi<3>,1|N<3>,2|C<3>,2|C<4>}	129.8300	0.000	1	130.7025	1.011	12	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Br<1>,1|In<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Br<1>,1|In<4>,1|C<4>,1|N<3>,2|C<3>}	129.6560	0.000	1	130.7025	1.011	12	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Br<1>,1|N<3>,2|C<3>,2|C<4>}	130.4470	0.000	1	130.7025	1.011	12	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|I<1>}	131.9095	0.849	2	130.7025	1.011	12	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Fe<8>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|Fe<8>,1|C<4>,1|I<1>,1|N<3>,2|C<3>}	131.5097	0.350	3	130.7025	1.011	12	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|I<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|I<1>,1|N<3>,2|C<3>,2|C<4>}	131.1110	0.000	1	130.7025	1.011	12	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|In<4>,2|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	129.6300	0.000	1	130.7025	1.011	12	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3)	C[6](N[6]In[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|In<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6a]In[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|S<2>}	C[6](N[6]In[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|S<2>}	131.1260	0.581	2	131.1260	0.338	2	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<4>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|N<3>}	132.7290	0.000	1	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<4>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	131.9220	0.041	2	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,2|C<3>,2|N<3>}	128.8100	0.000	1	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<3>,2|C<3>,2|N<2>}	129.1905	0.128	2	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|F<1>,1|N<2>,1|N<3>,3|C<3>}	129.2087	0.779	3	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	128.4410	0.000	1	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	127.9140	0.000	1	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<3>}	128.9920	0.000	1	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>,2|N<3>}	129.3130	0.000	1	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	129.3613	0.813	3	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>,3|C<3>}	128.9695	0.921	2	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,3|C<4>}	129.3380	0.229	2	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){2|Cl<1>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	127.9660	0.000	1	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|C<2>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|N<3>,2|C<3>,3|C<2>}	133.1350	0.000	1	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<2>,2|C<3>,2|N<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|C<2>,2|C<3>,2|N<3>}	131.1340	0.000	1	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|Li<5>,1|C<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|Li<5>,1|C<2>,2|C<3>,2|C<4>,2|N<3>}	129.5900	0.000	1	129.6906	2.109	24	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6a]Nb[6])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|N<2>}	C[6](N[6]Nb[6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|N<2>}	131.2380	0.000	1	131.2380	0.000	1	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CBHH)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<3>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CBHH){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,2|C<3>}	126.9155	0.192	2	126.9155	0.037	2	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<2>,1|N<3>,2|C<3>}	125.6985	0.173	2	125.9343	0.216	6	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	125.9470	0.000	1	125.9343	0.216	6	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,1|S<2>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Ni<4>,1|C<4>,1|N<3>,1|S<2>,2|C<3>}	126.1570	0.000	1	125.9343	0.216	6	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<1>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	125.3960	0.000	1	125.9343	0.216	6	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<4>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6a]Si[6])(C[6]C[6]H)(CH3){1|Se<2>,1|C<4>,1|N<3>,1|O<2>,2|C<3>}	126.7090	0.000	1	125.9343	0.216	6	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<5>,2|C<3>}	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Ga<5>,1|C<4>,1|N<3>,2|C<3>,2|O<2>}	C[6](N[6]Ga[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Ga<5>,1|C<4>,1|N<3>,2|C<3>,2|O<2>}	127.4700	0.000	1	127.4700	0.000	1	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C[6](N[6]Ga[4,4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	128.4170	0.178	4	128.4170	0.032	4	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|S<2>}	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|S<2>}	127.6340	0.000	1	128.0225	0.302	2	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){2|As<2>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]Ga[4,6]C[6a])(C[6]C[6]H)(CH3){2|As<2>,1|C<4>,1|N<3>,2|C<3>}	128.4110	0.000	1	128.0225	0.302	2	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C[6](N[6]Ga[5,5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	128.4882	0.399	4	128.4882	0.159	4	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,1|P<4>,2|C<3>}	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|P<3>,1|P<4>,2|C<3>}	128.4155	0.190	2	128.5335	0.097	4	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<3>}	128.9670	0.000	1	128.5335	0.097	4	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ga<4>,2|C<3>}	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|N<3>}	C[6](N[6]Ga[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|C<3>,3|N<3>}	128.3360	0.000	1	128.5335	0.097	4	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<3>}	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<2>}	C[6](N[6]Ge[4,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|C<3>,2|P<2>}	126.7810	0.000	1	126.7810	0.000	1	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<4>}	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cl<1>,1|Cu<3>,1|C<4>,1|N<3>}	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cl<1>,1|Cu<3>,1|C<4>,1|N<3>}	127.8410	0.000	1	127.7334	0.491	5	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<4>}	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cu<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cu<3>,1|C<4>,1|H<1>,1|N<3>}	127.2340	0.000	1	127.7334	0.491	5	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Ge<4>,2|C<4>}	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cu<3>,1|N<3>,2|C<4>}	C[6](N[6]Ge[6]C)(C[6]C[6]H)(CH3){1|Cu<3>,1|N<3>,2|C<4>}	127.8640	0.909	3	127.7334	0.491	5	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[3,3,6,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<7>,2|C<3>}	C[6](N[6]Nb[3,3,6,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|O<2>}	C[6](N[6]Nb[3,3,6,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|C<4>,3|O<2>}	128.7620	0.561	2	128.7620	0.315	2	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<3>,2|C<4>,2|N<3>}	129.0078	0.535	5	128.9869	0.227	7	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|O<2>}	128.6120	0.000	1	128.9869	0.227	7	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	C[6](N[6]Nb[3,3,6]C[6a])(C[6]C[6]H)(CH3){1|Nb<6>,1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|S<2>}	129.2570	0.000	1	128.9869	0.227	7	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<5>,2|C<3>}	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,2|C<3>,2|C<4>,2|N<3>}	131.0550	0.000	1	128.9373	1.172	8	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|B<4>,1|C<4>,1|H<1>,1|N<2>,2|C<3>,2|N<3>}	127.5320	0.000	1	128.9373	1.172	8	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,1|N<3>,4|C<3>}	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,1|N<3>,4|C<3>}	128.9100	0.450	2	128.9373	1.172	8	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<6>,2|C<3>}	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,2|N<3>,3|C<3>}	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<2>,1|C<4>,1|N<2>,2|N<3>,3|C<3>}	129.2820	0.419	2	128.9373	1.172	8	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<7>,2|C<3>}	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|C<3>,3|F<1>}	C[6](N[6]Nb[3,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,2|N<3>,3|C<3>,3|F<1>}	128.2635	0.469	2	128.9373	1.172	8	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[3x3,5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[3x3,5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<7>,2|C<3>}	C[6](N[6]Nb[3x3,5,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,5|C<4>}	C[6](N[6]Nb[3x3,5,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,5|C<4>}	129.8590	0.000	1	129.8590	0.000	1	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<8>,2|C<3>}	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,6|C<4>}	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,6|C<4>}	128.4875	0.100	2	127.9447	0.405	4	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Nb<9>,2|C<3>}	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>,6|C<4>}	C[6](N[6]Nb[5x3,6]C[6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>,6|C<4>}	127.4020	0.167	2	127.9447	0.405	4	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(H)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]N[6]C)2(H){1|Si<5>,2|C<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	C[6](N[6]Si[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<2>,2|C<3>,2|N<3>}	125.0020	0.000	1	125.0020	0.000	1	127.9218	5.001	224	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRuHH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRuHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|N<4>}	120.8580	0.000	1	120.8580	0.000	1	120.8580	0.000	1	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	119.5970	0.000	1	119.5970	0.000	1	119.5970	0.000	1	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3)	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	116.9100	0.000	1	116.9100	0.000	1	116.9100	0.000	1	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	120.5820	0.000	1	120.5820	0.000	1	120.5820	0.000	1	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	119.5795	0.198	4	119.5795	0.039	4	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,2|C<4>}	118.7710	0.000	1	118.9108	0.511	14	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	118.7794	0.411	5	118.9108	0.511	14	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	118.5542	0.347	6	118.9108	0.511	14	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	120.3790	0.433	2	118.9108	0.511	14	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	118.8560	0.000	1	118.6165	0.115	2	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>}	118.3770	0.000	1	118.6165	0.115	2	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	118.6665	0.177	2	118.7160	0.018	4	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	118.7655	0.115	2	118.7160	0.018	4	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	118.1900	1.189	2	118.1900	1.415	2	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	119.1730	0.000	1	119.1730	0.000	1	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	120.4800	0.000	1	120.4800	0.000	1	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	120.1090	0.000	1	120.1090	0.000	1	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	121.0400	0.000	1	121.0400	0.000	1	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|C<4>,1|O<1>}	121.4190	0.000	1	121.4190	0.000	1	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3){1|C<3>,2|C<4>}	118.1320	0.000	1	118.1320	0.000	1	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	120.5397	0.400	3	120.5028	0.103	5	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O){3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	120.4475	0.289	2	120.5028	0.103	5	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Bi<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Bi<4>,1|C<3>,1|C<4>}	116.8300	0.000	1	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	116.8010	0.000	1	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	119.3210	0.600	4	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|P<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|P<3>}	124.3310	0.000	1	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	123.2125	0.589	2	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<3>}	122.4250	0.000	1	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	118.4411	2.572	15	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	118.6461	0.540	16	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<4>,1|C<3>,1|C<4>}	123.1370	0.352	2	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<5>,1|C<3>,1|C<4>}	122.9407	0.483	6	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|O<2>,2|C<4>}	118.4650	0.000	1	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|S<4>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|S<4>,2|C<4>}	119.5820	0.000	1	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	118.6090	0.000	1	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Pd<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Pd<4>,1|C<3>,2|C<4>}	118.0930	0.000	1	119.5796	5.830	53	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,2|C<3>}	117.6590	0.000	1	117.6590	0.000	1	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	122.3710	1.503	2	122.1638	0.926	5	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,2|C<4>}	122.0257	0.807	3	122.1638	0.926	5	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)2(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CH3){1|C<3>,2|C<4>}	119.6910	0.266	2	119.6910	0.071	2	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	120.6320	0.945	2	121.0452	0.574	4	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,2|C<4>}	121.4585	0.384	2	121.0452	0.574	4	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|C<7>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|C<7>}	119.6420	0.000	1	120.0162	1.417	26	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	120.4544	1.310	16	120.0162	1.417	26	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	119.2740	0.472	8	120.0162	1.417	26	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>}	119.3160	0.000	1	120.0162	1.417	26	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,2|C<4>}	117.5670	0.000	1	117.5670	0.000	1	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>}	118.1520	0.204	2	118.1520	0.041	2	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	119.3455	0.271	2	118.0230	0.455	12	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	117.7585	0.286	10	118.0230	0.455	12	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	118.5120	0.000	1	118.5120	0.000	1	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CC[6a]CH)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)2(O){1|C<4>,2|O<2>}	C[6](C[6]C[6]O)2(CC[6a]CH){1|C<3>,3|C<4>}	C[6](C[6]C[6]O)2(CH3){1|C<3>,3|C<4>}	121.9475	0.059	2	121.9475	0.003	2	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]C)2(O){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	119.9405	0.767	2	119.9405	0.589	2	119.5745	3.313	148	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]S)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]S)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,1|S<4>}	114.0480	0.000	1	114.0480	0.000	1	113.7540	0.173	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]S)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO)	C[6](C[6]C[6]S)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO){1|C<3>,1|C<4>,1|S<4>}	113.4600	0.000	1	113.4600	0.000	1	113.7540	0.173	2	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6]Si)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC[6]CC)	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC[6]CC)	C[6](C[6]C[6]Si)2(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC[6]CC){1|Si<4>,1|C<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC[6]CC){1|Si<4>,1|C<3>,1|O<1>}	121.0290	0.415	6	121.0290	0.172	6	121.0290	0.172	6	123.0884	13.528	810	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[5,6]C)(H)	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH)	C[6](C[3x6]C[5,3x6]Ge[3x6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]H)(C[6]C[5,6]C)(H){1|Ge<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,3x6]C[5,6a])(C[6]C[6]H)(CCCH){1|Ge<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[3x6]C[5,3x6]Ge[3x6]H)(C[6]C[6]H)(H){1|Ge<4>,2|C<4>,4|C<3>}	123.3540	0.000	1	123.3540	0.000	1	123.3540	0.000	1	122.3582	0.657	24	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCCH)	C[6](C[6]C[5,6]AlH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Al<5>,1|C<3>,1|C<5>,1|H<1>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]H)(CCCH){1|Al<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]AlH)(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>}	121.3860	0.000	1	121.3860	0.000	1	121.3860	0.000	1	122.3582	0.657	24	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	124.2360	0.000	1	124.2360	0.000	1	124.2360	0.000	1	122.3582	0.657	24	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH)	C[6](C[5,6]C[5,6,6]Si[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]C)(H){1|Si<4>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[5,6,6]N[5,6])(C[6]C[6]H)(CCCH){1|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]Si[5]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|O<2>,4|C<4>}	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	122.3582	0.657	24	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CO)(C[6]C[6]H)(O){1|C<4>,2|C<3>}	122.4030	0.000	1	122.4030	0.000	1	122.4030	0.000	1	122.3582	0.657	24	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]H)(H){2|C<3>,3|C<4>}	122.3991	0.451	12	122.3991	0.204	12	122.5019	0.241	14	122.3582	0.657	24	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Zr<13>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(CH3){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,3|C<4>}	123.1185	0.046	2	123.1185	0.002	2	122.5019	0.241	14	122.3582	0.657	24	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]N[6]IrO)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<9>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Ir<9>,1|C<4>,1|H<1>}	C[6](C[6]N[6]IrO)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	120.3940	0.000	1	120.3940	0.000	1	120.9500	0.618	2	122.3582	0.657	24	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){1|Pd<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]PdH)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	121.5060	0.000	1	121.5060	0.000	1	120.9500	0.618	2	122.3582	0.657	24	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	N[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](N[6]C[6]Ru2)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<7>,1|Ru<9>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|Ru<9>,1|C<4>,1|H<1>,1|N<4>}	C[6](N[6]C[6]Ru2)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	121.6810	0.122	2	121.6810	0.015	2	121.6810	0.015	2	122.3582	0.657	24	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	123.0490	0.000	1	123.0490	0.000	1	123.0490	0.000	1	122.3582	0.657	24	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C-4:C[6]-3:C[6]-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](CC[6a]SiH)(C[6]C[6]H)2	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C[6](CC[6a]SiH)(C[6]C[6]H)2{1|C<3>,2|C<4>}	123.0295	0.409	4	123.0295	0.168	4	123.0295	0.168	4	123.1596	0.210	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](N[6]C[6a]P[6])(C[6]C[6]H)(CH3)	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|P<3>,2|H<1>}	C[6](N[6]C[6a]P[6])(C[6]C[6]H)(CH3){1|Cl<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]P[6]HH)(C[6]C[6]H)(NC[6a]H){1|Cl<1>,1|C<4>,1|N<3>}	123.6800	0.000	1	123.6800	0.000	1	123.6800	0.000	1	123.1596	0.210	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|N<3>}	124.3737	0.494	3	124.3737	0.244	3	124.3737	0.244	3	126.5246	5.052	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3)	C[6](C[6]C[6,6]NdO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|Nd<21>,1|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3){1|Nd<21>,1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]NdO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	128.6483	0.697	6	128.6483	0.486	6	127.7095	3.450	10	126.5246	5.052	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3)	C[6](C[6]C[6,6]OW)(C[6]C[6]H)(CC3)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|W<14>,1|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CC3){1|W<14>,1|C<3>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]OW)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	127.4193	0.444	3	127.4193	0.197	3	127.7095	3.450	10	126.5246	5.052	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]H)(CH3){2|C<3>,3|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	122.9470	0.000	1	122.9470	0.000	1	127.7095	3.450	10	126.5246	5.052	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]C)2(H){1|Zr<16>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|Zr<16>,1|O<2>,2|C<4>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>}	125.7760	0.006	2	125.7760	0.000	2	124.7260	3.308	3	126.5246	5.052	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:4:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]2Fe)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]C)2(H){1|Fe<9>,1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){1|Fe<9>,2|C<3>,2|C<4>}	C[6](C[6]C[6]2Fe)(C[6]C[6]H)(CCCH){1|C<3>,3|C<4>}	122.6260	0.000	1	122.6260	0.000	1	124.7260	3.308	3	126.5246	5.052	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:5:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-5:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CPdCCH)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CPdCCH){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<5>,1|H<1>}	121.7940	0.000	1	121.7940	0.000	1	121.7940	0.000	1	121.7940	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:5:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-5:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CRuSiHH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(CRuSiHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|C<5>,1|N<3>}	118.8460	0.000	1	118.8460	0.000	1	118.8105	0.003	2	119.6930	0.486	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:5:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-5:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CTiHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ti<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]H)(CTiHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	118.7750	0.000	1	118.7750	0.000	1	118.8105	0.003	2	119.6930	0.486	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:5:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-5:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Os)(C[6]C[6]H)(NOs4)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Os<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Os)(C[6]C[6]H)(NOs4){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|N<5>}	120.0490	0.000	1	120.0490	0.000	1	119.9153	0.369	6	119.6930	0.486	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:5:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-5:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRu4)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRu4){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|N<5>}	120.0900	0.967	2	119.8886	0.456	5	119.9153	0.369	6	119.6930	0.486	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:5:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-5:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRu4)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRu4){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|N<5>}	119.4000	0.000	2	119.8886	0.456	5	119.9153	0.369	6	119.6930	0.486	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:5:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-5:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRu4)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]H)(NRu4){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|N<5>}	120.4630	0.000	1	119.8886	0.456	5	119.9153	0.369	6	119.6930	0.486	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:3:5:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:Si-5:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]H)(SiCuC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]H)(SiCuC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<5>,1|H<1>,1|N<3>}	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	119.6930	0.486	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(CC[6a]2O)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(CC[6a]2O)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	121.3280	0.000	1	121.3280	0.000	1	121.3280	0.000	1	120.3702	0.872	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(PC[6]MoC)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(PC[6]MoC)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	121.6830	0.000	1	121.6830	0.000	1	120.1786	0.814	5	120.3702	0.872	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(PC[6a]2N)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(PC[6a]2N)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	119.6375	0.295	2	119.6375	0.087	2	120.1786	0.814	5	120.3702	0.872	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(PC[6a]2O)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(PC[6a]2O)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.3080	0.000	1	120.3080	0.000	1	120.1786	0.814	5	120.3702	0.872	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:P-4:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(PC[6a]CI)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(PC[6a]CI)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	119.6270	0.000	1	119.6270	0.000	1	120.1786	0.814	5	120.3702	0.872	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C-4:C[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<2>}	C[6](C[6]C[6]H)(CC[6a]HH)(C[6]C[6]){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,2|C<4>}	121.3760	0.000	1	121.3760	0.000	1	121.3760	0.000	1	121.3760	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>}	120.6640	0.779	2	120.6640	0.607	2	120.6640	0.607	2	120.6640	0.607	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(Cl){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]Cl){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Cl)(O){1|C<4>,1|H<1>,3|C<3>}	124.9680	0.337	2	124.9680	0.113	2	124.9680	0.113	2	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5])(C[6]C[6]Li2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|Li<4>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5]N[5]O[5])(C[6]C[6]Li2)(C[6]C[6]H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	119.6770	0.000	1	119.6770	0.000	1	119.6770	0.000	1	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CuH)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|Cu<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]CuH)(C[6]C[6]H){1|C<3>,1|N<2>,1|N<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.0730	0.000	1	120.0730	0.000	1	123.8943	10.952	3	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|Pt<5>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	125.8050	0.000	2	125.8050	0.000	2	123.8943	10.952	3	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C-4:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.7640	0.846	4	120.7640	0.716	4	120.8045	0.692	13	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C-4:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.8224	0.877	9	120.8224	0.769	9	120.8045	0.692	13	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[4]-4:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[4])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H)	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[4])(C[6]N[6]H)(H){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	121.1390	0.000	1	121.1390	0.000	1	120.7190	0.176	3	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[4]-4:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[4])(C[6]N[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[4])(C[6]N[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[4]C[4]2H)(C[6]C[6]H){1|C<4>,1|N<3>,4|C<3>,4|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	120.5090	0.297	2	120.5090	0.088	2	120.7190	0.176	3	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]C[6]H)(C[6]C[6]H){1|C<4>,1|S<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	122.7150	0.000	1	122.7150	0.000	1	122.7150	0.000	1	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]O)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2H)(C[6]C[6]H){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(O){1|C<4>,2|C<3>}	123.1580	0.000	1	123.1580	0.000	1	123.1580	0.000	1	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]Fe2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Fe<5>,1|Fe<6>,1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]Fe2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|Fe<6>,1|C<4>,2|C<3>}	119.5203	0.507	3	119.5203	0.257	3	119.5203	0.257	3	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-3:P[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|P<4>,3|C<4>}	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|F<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CF)(C[6]C[6]H){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	123.1630	0.000	1	123.1630	0.000	1	122.8235	0.231	2	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|F<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|F<1>,4|C<3>}	122.4840	0.000	1	122.4840	0.000	1	122.8235	0.231	2	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:N-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(N)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N){1|C<4>,1|H<1>,2|C<3>}	121.5760	0.000	1	121.5760	0.000	1	121.5760	0.000	1	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	121.9600	0.068	2	121.9600	0.005	2	121.9600	0.005	2	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	124.2400	0.000	1	124.2400	0.000	1	124.1095	0.034	2	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(O){1|C<4>,1|H<1>,2|C<3>}	123.9790	0.000	1	123.9790	0.000	1	124.1095	0.034	2	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,4|C<3>}	124.6600	0.964	2	124.6600	0.930	2	124.1870	1.136	3	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	N[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(H){2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]H)(O){1|C<4>,1|O<1>,3|C<3>}	123.2410	0.000	1	123.2410	0.000	1	124.1870	1.136	3	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H)	C[6](N[5,6]Ga[5,5]C[5,6])(PC[6a]2Pd)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H){1|Ga<5>,1|C<3>,1|H<1>}	C[6](N[5,6]Ga[5,5]C[5,6])(PC[6a]2Pd)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<4>}	119.1930	0.277	2	119.1930	0.077	2	118.8503	0.245	4	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H)	C[6](N[5,6]In[5,5]C[5,6])(PC[6a]2Pd)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]P)(C[6]C[6]H)(H){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]In[5,5]C[5,6])(PC[6a]2Pd)(C[6]C[6]H){2|Cl<1>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|P<4>}	118.5075	0.435	2	118.5075	0.189	2	118.8503	0.245	4	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[5]-3:N[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H)	C[6](N[5]C[5]N[5])(N[6]C[6]Cu2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(H){2|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[5]C[5]N[5])(N[6]C[6]Cu2)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|N<4>,2|N<3>}	117.2960	0.884	2	117.2960	0.781	2	117.2960	0.781	2	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:As-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]As)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(AsC[6a]2O)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]As)(C[6]C[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(AsC[6a]2O)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<4>,1|C<4>,1|N<3>}	116.7960	1.061	2	116.7960	1.125	2	116.7960	1.125	2	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]B[6,6]C[6])(CB[6,6]HH)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6]B[6,6]C[6])(CB[6,6]HH)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	122.0030	0.424	2	122.0030	0.180	2	121.3942	0.563	4	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Li)(CB[6,6]HH)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(CB[6,6]HH)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.6710	0.000	1	120.6710	0.000	1	121.3942	0.563	4	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(CB[6,6]HH)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(CB[6,6]HH)(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<2>,1|N<3>}	120.9000	0.000	1	120.9000	0.000	1	121.3942	0.563	4	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[5]-4:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H)	C[6](N[6]C[6,6]Rh)(C[5]C[5]2Fe)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6,6]H)(H){1|Fe<10>,1|Rh<4>,2|C<3>,2|C<4>}	C[6](N[6]C[6,6]Rh)(C[5]C[5]2Fe)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	121.0635	0.760	2	121.0635	0.578	2	121.0635	0.578	2	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:N-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](N[6]C[6]Ni)(NC[6a]Ni2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(NC[6a]Ni2)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|N<4>}	118.3510	0.526	2	118.3510	0.277	2	118.3510	0.277	2	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Al)(PC[6a]2Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(PC[6a]2Pd)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	118.9591	0.712	8	118.9591	0.506	8	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Al)(PC[6a]2Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(PC[6a]2Rh)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	119.0335	0.424	2	119.0335	0.179	2	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Co)(PC[6a]2Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(PC[6a]2Co)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	120.2390	0.291	2	120.2390	0.085	2	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	118.8709	0.521	11	119.3540	0.559	26	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.8717	0.425	4	119.3540	0.559	26	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|F<1>,1|N<3>,1|P<4>}	120.2880	0.000	1	119.3540	0.559	26	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.9850	0.513	10	119.3540	0.559	26	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Fe)(PC[6a]2Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(PC[6a]2Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.2280	0.000	1	119.2280	0.000	1	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Ir)(PC[6a]2Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(PC[6a]2Ir)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.4040	0.313	2	119.3400	0.377	4	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Ir)(PC[6a]2Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(PC[6a]2Ir)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.2760	1.008	2	119.3400	0.377	4	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Ir)(PC[6a]IrC)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Ir<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(PC[6a]IrC)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.0640	0.000	1	118.0640	0.000	1	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Li)(PC[6a]2Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(PC[6a]2Rh)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	118.8690	0.373	2	118.8690	0.139	2	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Mo)(PC[6a]2Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(PC[6a]2Mo)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	118.4610	0.000	1	118.4610	0.000	1	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Pd)(PC[6a]2Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(PC[6a]2Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.6815	0.120	2	119.6815	0.014	2	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Rh)(PC[6a]2Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(PC[6a]2Ir)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	120.2120	0.000	1	120.2120	0.000	1	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Rh)(PC[6a]2Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(PC[6a]2Rh)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.6470	0.000	1	119.6470	0.000	1	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Ru)(PC[6a]2Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(PC[6a]2Ir)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.9940	0.000	1	118.9940	0.000	1	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6]Zn)(PC[6a]2Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Zn<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(PC[6a]2Re)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,1|P<4>}	118.7220	0.000	1	118.7220	0.000	1	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](N[6]C[6a]C[6])(PC[6a]2Au)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|H<1>,2|C<3>}	C[6](N[6]C[6a]C[6])(PC[6a]2Au)(C[6]C[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	120.8970	0.000	1	120.8970	0.000	1	119.2983	0.544	54	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]H)(O){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6a]N[6]H)(C[6]C[6]O){1|S<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	120.1978	3.570	109	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,3|C<3>}	123.0270	0.000	1	123.0270	0.000	1	123.0270	0.000	1	121.1850	1.585	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|O<2>,2|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CO)(C[6]C[6]H){1|N<2>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(N[6]C[6]){1|C<4>,1|O<2>,3|C<3>,3|H<1>}	120.8570	0.000	1	120.8570	0.000	1	120.8570	0.000	1	121.1850	1.585	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]B[6]HH)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H){1|B<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]B[6]HH)(C[6]C[6]H){1|O<2>,2|F<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)(O[6]B[6]){1|C<4>,2|H<1>,5|C<3>}	120.4280	0.330	2	120.4280	0.109	2	120.4280	0.109	2	121.1850	1.585	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-4:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu2)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){2|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu2)(C[6]C[6]H){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<4>,2|H<1>,4|C<3>}	120.7590	0.290	2	120.7590	0.084	2	120.7590	0.084	2	121.8638	1.192	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,2|C<3>}	121.8695	0.286	2	121.8695	0.082	2	121.8695	0.082	2	121.8638	1.192	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])2(H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,4|C<3>}	123.6480	0.000	1	123.6480	0.000	1	122.9630	0.938	2	121.8638	1.192	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])2(H){1|Si<4>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]Si)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	122.2780	0.000	1	122.2780	0.000	1	122.9630	0.938	2	121.8638	1.192	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]N[5]S[5])(C[6]C[6]TiO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Ti<8>,1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[6](C[5]N[5]S[5])(C[6]C[6]TiO)(C[6]C[6]H){2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	122.0895	0.807	4	122.0895	0.651	4	122.0895	0.651	4	121.6982	0.382	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]OV)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>,1|V<7>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]OV)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	122.1340	0.235	2	122.1525	0.062	4	121.8719	0.144	12	121.6982	0.382	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]OV)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>,1|V<8>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]OV)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	122.1710	0.361	2	122.1525	0.062	4	121.8719	0.144	12	121.6982	0.382	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]TaO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Ta<8>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]TaO)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	121.8492	0.344	5	121.8492	0.119	5	121.8719	0.144	12	121.6982	0.382	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]TiO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Ti<7>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]TiO)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	121.4515	0.474	2	121.4515	0.225	2	121.8719	0.144	12	121.6982	0.382	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]ZrO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Zr<10>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]ZrO)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	121.7040	0.000	1	121.7040	0.000	1	121.8719	0.144	12	121.6982	0.382	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|H<1>,1|N<3>,1|P<4>}	121.1050	0.204	2	121.1050	0.041	2	120.9684	0.116	5	121.6982	0.382	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC[5]HH)	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC[5]HH){1|H<1>,1|N<3>,1|P<4>}	120.7360	0.000	1	120.7360	0.000	1	120.9684	0.116	5	121.6982	0.382	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(PC[6a]2Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|P<4>}	120.9480	0.576	2	120.9480	0.331	2	120.9684	0.116	5	121.6982	0.382	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<4>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	123.1400	0.000	1	123.2215	0.013	2	123.2354	0.285	5	123.6182	0.423	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	123.3030	0.000	1	123.2215	0.013	2	123.2354	0.285	5	123.6182	0.423	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	124.1000	0.000	1	124.1000	0.000	1	123.2354	0.285	5	123.6182	0.423	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	122.6990	0.000	1	122.6990	0.000	1	123.2354	0.285	5	123.6182	0.423	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|S<2>,4|H<1>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	122.9350	0.000	1	122.9350	0.000	1	123.2354	0.285	5	123.6182	0.423	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	124.6280	0.000	1	124.6280	0.000	1	123.7245	0.425	18	123.6182	0.423	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	123.8591	0.431	9	123.7187	0.209	12	123.7245	0.425	18	123.6182	0.423	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|Cl<1>,1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	123.2973	0.227	3	123.7187	0.209	12	123.7245	0.425	18	123.6182	0.423	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	122.8820	0.000	1	123.1025	0.097	2	123.7245	0.425	18	123.6182	0.423	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	123.3230	0.000	1	123.1025	0.097	2	123.7245	0.425	18	123.6182	0.423	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	124.5780	0.315	2	124.5780	0.099	2	123.7245	0.425	18	123.6182	0.423	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HO)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.4280	0.000	1	122.4280	0.000	1	123.7245	0.425	18	123.6182	0.423	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:4:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6a]-3:C-4:C[6]-3:	C[3x6]-4:N[6]-3:C[6]-3:	C[6](C[6]C[3x6]N[6])(C[6]C[6,6a]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H)	C[6](C[3x6]C[6,6]3)(N[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6]C[3x6]N[6])(C[6]C[6,6a]C)(H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(CC[6,6]HO)(C[6]C[6]H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[3x6]C[6,6]3)(N[6]C[6,6a]O)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	124.7810	0.000	1	124.7810	0.000	1	124.7810	0.000	1	124.7810	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:5:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C-5:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(CC[6]DyOO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(CC[6]DyOO)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	118.8825	0.183	2	118.8825	0.034	2	118.4818	0.759	14	118.4818	0.759	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:5:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C-5:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(CC[6]FeOO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(CC[6]FeOO)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	117.9808	0.155	4	117.9808	0.024	4	118.4818	0.759	14	118.4818	0.759	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:5:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C-5:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Fe)(CC[6]GdOO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(CC[6]GdOO)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	119.4437	0.367	4	119.4437	0.134	4	118.4818	0.759	14	118.4818	0.759	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:5:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C-5:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Re)(CC[6]ReOO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(CC[6]ReOO)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	118.1005	0.158	2	118.1005	0.025	2	118.4818	0.759	14	118.4818	0.759	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	3:5:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-3:C-5:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ru)(CC[6]RuOO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ru<10>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(CC[6]RuOO)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	117.5405	1.500	2	117.5405	2.249	2	118.4818	0.759	14	118.4818	0.759	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<8>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,2|C<4>}	122.7200	0.000	1	122.7200	0.000	1	122.1640	0.618	2	121.0996	1.210	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|Si<4>,1|C<2>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6])(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	121.6080	0.000	1	121.6080	0.000	1	122.1640	0.618	2	121.0996	1.210	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	N[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<10>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,2|C<4>}	120.1172	0.368	4	120.1172	0.136	4	120.2118	0.147	5	121.0996	1.210	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	N[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){2|C<4>,2|H<1>}	120.5900	0.000	1	120.5900	0.000	1	120.2118	0.147	5	121.0996	1.210	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]O[6]O)(H){1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>,2|O<2>}	C[6](O[6]C[5,6])(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	122.6900	0.086	2	122.2860	0.493	3	122.0326	0.368	5	121.0996	1.210	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]O[6]O)(H){3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](O[6]C[5,6])(C[6]C[6]H)(O){2|C<4>,2|H<1>}	121.4780	0.000	1	122.2860	0.493	3	122.0326	0.368	5	121.0996	1.210	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]O[6]O)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[6](O[6]C[5,6])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[5,6])(C[6]C[6]H)(O){2|C<4>,2|H<1>}	121.6525	0.064	2	121.6525	0.004	2	122.0326	0.368	5	121.0996	1.210	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	N[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H)	C[6](N[6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(H){1|Mo<9>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6])(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	119.1920	1.468	2	119.1920	2.155	2	119.1920	2.155	2	121.0996	1.210	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H){3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	121.6945	0.388	2	121.6945	0.151	2	121.5036	0.100	5	121.0996	1.210	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H)	C[6](O[6]C[6,6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	121.3763	0.254	3	121.3763	0.065	3	121.5036	0.100	5	121.0996	1.210	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	O[6]-2:C[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](O[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	120.8195	0.388	2	120.8195	0.151	2	120.8195	0.151	2	121.0996	1.210	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	N[6]-2:C[6]-3:S-2:	C[6](C[6]C[5,6]H)(C[6]N[6]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[6](N[6]C[5,6])(C[6]C[6]H)(SC)	C[6](C[6]C[5,6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|C<4>}	C[6](N[6]C[5,6])(C[6]C[6]H)(SC){2|C<4>,2|H<1>}	119.0330	0.000	1	119.0330	0.000	1	119.6530	0.769	2	119.6530	0.769	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	N[6]-2:C[6]-3:S-2:	C[6](C[6]C[5,6]H)(C[6]N[6]S)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[6](N[6]C[5,6])(C[6]C[6]H)(SC[6a])	C[6](C[6]C[5,6]H)(C[6]N[6]S)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|S<2>,2|C<4>}	C[6](N[6]C[5,6])(C[6]C[6]H)(SC[6a]){2|C<4>,2|H<1>}	120.2730	0.000	1	120.2730	0.000	1	119.6530	0.769	2	119.6530	0.769	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	2:3:4:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	O[6]-2:C[6]-3:C-4:	C[6](C[6]C[3x6]O)(C[6]O[6]C)(H)	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(O)	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3)	C[6](C[6]C[3x6]O)(C[6]O[6]C)(H){1|O<2>,2|C<4>}	C[6](C[3x6]C[3x6]C[6,6]O[6])(C[6]C[6]H)(O){1|O<2>,7|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	120.8730	0.000	1	120.8730	0.000	1	120.8730	0.000	1	120.8730	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6,6]H)(C[6]O[6]O)(H){1|C<3>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|H<1>,3|C<4>}	121.1905	0.132	4	121.1905	0.017	4	121.1905	0.017	4	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]AlH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|Al<7>,1|C<3>,1|H<2>}	C[6](C[6]C[6]AlH)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,2|H<1>}	119.1520	0.000	1	119.1520	0.000	1	119.6107	0.162	4	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CuH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|Cu<5>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CuH)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Cu<5>,1|H<1>,2|C<4>}	119.5780	0.000	2	119.5780	0.000	2	119.6107	0.162	4	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<4>,1|H<1>}	120.1350	0.000	1	120.1350	0.000	1	119.6107	0.162	4	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6])(O){1|Br<1>,1|C<4>,1|H<1>}	122.2670	0.000	1	122.2670	0.000	1	122.2670	0.000	1	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|H<1>,2|C<4>}	119.5170	0.000	1	119.6775	0.052	2	119.2550	0.561	3	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|C<4>,2|H<1>}	119.8380	0.000	1	119.6775	0.052	2	119.2550	0.561	3	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]RhH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Rh<8>,1|C<4>,1|H<1>}	C[6](C[6]C[6]RhH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|Rh<8>,1|H<1>,2|C<4>}	118.4100	0.000	1	118.4100	0.000	1	119.2550	0.561	3	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]FF)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|F<1>}	C[6](C[6]C[6]FF)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	121.5100	0.000	1	121.5100	0.000	1	120.8436	0.175	12	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]FH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|C<4>,1|F<1>,1|H<1>}	C[6](C[6]C[6]FH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	120.6475	0.029	2	120.6475	0.001	2	120.8436	0.175	12	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	120.8140	0.449	7	120.8140	0.202	7	120.8436	0.175	12	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	121.1150	0.000	1	120.8100	0.186	2	120.8436	0.175	12	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){2|C<4>,2|H<1>}	120.5050	0.000	1	120.8100	0.186	2	120.8436	0.175	12	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|C<3>,1|O<1>,2|C<4>}	120.1850	0.000	1	120.7480	0.389	5	120.7480	0.389	5	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(O[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	120.8888	0.622	4	120.7480	0.389	5	120.7480	0.389	5	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(H){3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	120.9395	0.397	2	120.9395	0.157	2	120.9395	0.157	2	120.6122	0.662	31	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6,6]O)(C[6]O[6]C)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(O[6]C[6])(CH3)	C[6](C[6]C[6,6]O)(C[6]O[6]C)(H){1|C<3>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(O){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(CH3){1|C<4>,2|O<1>}	121.9820	0.000	1	121.9820	0.000	1	121.9820	0.000	1	121.4403	0.257	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]LiTi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Li<6>,1|Ti<9>,1|C<4>}	C[6](C[6]C[6]LiTi)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|Li<6>,1|C<4>,2|H<1>}	121.3610	0.000	1	121.3610	0.000	1	121.1695	0.073	2	121.4403	0.257	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<13>,1|C<3>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(CH3){1|C<4>,2|H<1>}	120.9780	0.000	1	120.9780	0.000	1	121.1695	0.073	2	121.4403	0.257	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H)	C[6](C[6]C[6]Br)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]Br)2(O){1|C<4>,2|H<1>}	122.8455	0.648	2	122.8455	0.420	2	122.8455	0.420	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Br)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]Br)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]Br)(H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]Br)(O){1|H<1>,2|C<4>}	122.7155	0.252	2	122.7155	0.064	2	122.7155	0.064	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H){1|H<1>,1|O<1>,2|C<4>}	123.0620	0.000	1	123.0620	0.000	1	123.0620	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(Br)	C[6](C[6]N[6]BrH)(C[6]C[6]Br)(O)	C[6](C[6]C[6]Br)(N[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(Br){1|Br<1>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]N[6]BrH)(C[6]C[6]Br)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Br)(N[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	121.3470	0.000	1	121.3470	0.000	1	121.3470	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[4,6]H)(C[6]C[6]O)(Cl)	C[6](C[4,6]C[3,4]C[6]O[4])(C[6]C[6]Cl)(H)	C[6](C[6]C[6]Cl)2(O)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[4,6]C[3,4]C[6]O[4])(C[6]C[6]Cl)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6]Cl)2(O){1|C<4>,2|H<1>}	123.1475	0.392	2	123.1475	0.154	2	123.1475	0.154	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[4,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl)	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]Cl)(O)	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]Cl)(O){2|Cl<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|O<1>,2|C<4>}	121.9930	0.000	1	122.7170	1.048	2	122.7170	1.048	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[4,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl)	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]Cl)(O)	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]Cl)(C[6]C[6]Cl)(O){2|Cl<1>,1|C<4>,3|C<3>}	C[6](C[6]C[4,6]O)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|O<1>,2|C<4>}	123.4410	0.000	1	122.7170	1.048	2	122.7170	1.048	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[5,6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<4>,1|H<1>,1|S<2>}	120.6090	0.000	1	120.6090	0.000	1	120.6090	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]CrO)(C[6]C[6]Cl)(Cl)	C[6](C[6]C[6]Cl)2(Cl)	C[6](C[6]C[6]Cl)2(Cl){1|Cr<10>,1|Cl<1>,1|C<4>,1|O<2>}	C[6](C[6]C[6]CrO)(C[6]C[6]Cl)(Cl){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)2(Cl){1|Cr<10>,1|Cl<1>,1|C<4>,1|O<2>}	119.9820	0.984	2	119.9820	0.969	2	119.9820	0.969	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[5]C[6]C)(C[6]C[6]Cl)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5]C[6]C)(C[6]C[6]Cl)(O){1|Cl<1>,1|C<2>,1|N<2>,3|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|C<4>,1|O<1>}	122.3390	0.076	2	122.3390	0.006	2	122.4333	0.030	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]2C)(C[6]C[6]Cl)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]2C)(C[6]C[6]Cl)(O){1|Cl<1>,1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<4>,1|O<1>}	122.6220	0.000	1	122.6220	0.000	1	122.4333	0.030	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]AlH)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|Al<4>,1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]AlH)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	118.8700	0.106	2	118.8700	0.011	2	119.6765	1.228	41	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]BH)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|B<4>,1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	118.7425	1.770	2	118.7425	3.133	2	119.6765	1.228	41	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]CeF)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|Ce<24>,1|C<4>,1|F<1>,1|F<2>}	C[6](C[6]C[6]CeF)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|N<3>}	C[6](C[6]C[6]F)2(F){1|Ce<24>,1|C<4>,1|F<1>,1|N<3>}	118.4870	0.131	6	118.4870	0.017	6	119.6765	1.228	41	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]CeN)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|Ce<24>,1|C<4>,1|F<1>,1|N<3>}	C[6](C[6]C[6]CeN)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|F<2>}	C[6](C[6]C[6]F)2(F){1|Ce<24>,1|C<4>,1|F<1>,1|F<2>}	120.9310	0.176	4	120.9310	0.031	4	119.6765	1.228	41	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]Cu2)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|Cu<2>,1|Cu<3>,1|C<3>,1|F<1>}	C[6](C[6]C[6]Cu2)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	118.6010	0.338	4	118.6010	0.114	4	119.6765	1.228	41	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]LaF)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|F<2>}	C[6](C[6]C[6]LaF)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|N<3>}	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|N<3>}	119.3426	0.424	5	119.3426	0.179	5	119.6765	1.228	41	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]LaN)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|N<3>}	C[6](C[6]C[6]LaN)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|F<2>}	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|F<2>}	121.1288	0.391	5	121.1288	0.153	5	119.6765	1.228	41	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]OU)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|U<10>,1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	119.9530	0.929	4	120.2460	0.526	10	119.6765	1.228	41	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]OU)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|U<12>,1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	120.4413	0.560	6	120.2460	0.526	10	119.6765	1.228	41	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]Pt2)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){2|Pt<3>,1|C<3>,1|F<1>}	C[6](C[6]C[6]Pt2)(C[6]C[6]F)(F){1|C<3>,2|F<1>}	C[6](C[6]C[6]F)2(F){1|C<4>,2|F<1>}	118.7340	0.748	2	118.7340	0.560	2	119.6765	1.228	41	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]ZrC)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(F){1|Zr<14>,1|C<3>,1|C<4>,1|F<1>}	C[6](C[6]C[6]ZrC)(C[6]C[6]F)(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]F)2(F){1|Zr<14>,1|C<4>,1|F<1>}	120.1760	0.000	1	120.1760	0.000	1	119.6765	1.228	41	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](B[6]C[6]PtP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>,1|P<4>}	C[6](B[6]C[6]PtP)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Pt<6>,1|B<4>,1|H<1>}	122.8090	0.000	1	122.5927	0.057	4	122.5927	0.057	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	B[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[6]H)(C[6]C[6]H)(H)	C[6](B[6]C[6]PtP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(H){1|Pt<6>,1|C<4>,1|H<1>,1|P<4>}	C[6](B[6]C[6]PtP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Pt<6>,1|B<4>,2|H<1>}	122.5207	0.232	3	122.5927	0.057	4	122.5927	0.057	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(H)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(H){1|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]H)(H){1|F<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(H){1|H<1>,3|C<4>}	122.1090	0.112	2	122.1090	0.012	2	122.1090	0.012	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){1|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){2|C<3>,3|H<1>}	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	122.3470	0.000	1	122.3470	0.000	1	121.2505	0.740	6	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	121.1680	0.000	1	121.4923	0.263	3	121.2505	0.740	6	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(H){1|C<3>,1|P<4>,3|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	121.6545	0.606	2	121.4923	0.263	3	121.2505	0.740	6	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[3,6]Nb[3,4]C[3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){1|Nb<6>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[3,6]Nb[3,4]C[3]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<2>,2|N<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.3395	0.371	2	120.3395	0.138	2	121.2505	0.740	6	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[3,6]H)(C[6]C[6]O)(H)	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[3,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<4>}	120.7130	0.000	1	120.7130	0.000	1	120.7130	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	121.7763	0.677	4	121.4462	2.346	12	121.4462	2.346	12	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	121.9930	0.795	2	121.4462	2.346	12	121.4462	2.346	12	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	121.0438	2.088	6	121.4462	2.346	12	121.4462	2.346	12	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,4,6]H)(C[6]C[6]H)(H)	C[6](C[4,4,6]C[3x4,6]C[3x4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4,4,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,4,6]C[3x4,6]C[3x4]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>,2|H<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	119.7615	1.266	2	119.7615	1.604	2	119.7615	1.604	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H)	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,5,6,6]C[4,5,6,6]2C[5,6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	122.3600	0.000	1	122.3600	0.000	1	122.3963	0.004	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H)	C[6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[4,5,6,6]C[4,5,6,6]2O[5,6])(C[6]C[6]H)(H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	122.4710	0.000	1	122.4710	0.000	1	122.3963	0.004	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H)	C[6](C[4,5,6,6]C[5,5,6,6]C[4,5,6]C[4,6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,5,6,6]C[5,5,6,6]C[4,5,6]C[4,6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	122.3580	0.000	1	122.3580	0.000	1	122.3963	0.004	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,5,6]H)(C[6]C[6]H)(H)	C[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[4,5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,5,6]C[4,5,6]C[4]C[5])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4,5,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	122.3448	0.677	4	122.3448	0.459	4	122.3448	0.459	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<6>,1|H<1>,2|C<4>}	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|C<6>,4|B<6>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|C<5>,2|H<1>}	120.0450	0.000	1	120.0900	0.004	2	120.0900	0.004	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<6>,1|H<1>,2|C<4>}	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<6>,4|B<6>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|C<6>,2|H<1>}	120.1350	0.000	1	120.0900	0.004	2	120.0900	0.004	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[4,6]H)(C[6]C[6]O)(H)	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[4,6]C[4]C[6]N[4])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7535	0.076	2	121.7535	0.006	2	121.7535	0.006	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H)	C[6](C[4,6]C[4,6]2C)(C[6]C[6]H)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H){1|H<1>,3|C<4>}	C[6](C[4,6]C[4,6]2C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.5880	0.000	1	122.5880	0.000	1	123.1612	0.190	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H)	C[6](C[4,6]C[4,6]2Cl)(C[6]C[6]H)(H)	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H){1|Cl<1>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]2Cl)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>}	C[6](N[6]C[4,6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.2055	0.059	2	123.2055	0.003	2	123.1612	0.190	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(H)	C[6](N[6]C[4,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[4,6]H)(C[6]N[6]O)(H){1|H<1>,3|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,1|S<4>,2|H<1>}	C[6](N[6]C[4,6]C)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.6460	0.000	1	123.6460	0.000	1	123.1612	0.190	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,5]C[4,6]C)(C[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	124.1340	0.000	1	124.1340	0.000	1	123.3580	0.582	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,5]C[4,6]H)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>}	122.3270	0.000	1	122.3270	0.000	1	123.3580	0.582	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[4,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	123.4855	0.223	2	123.4855	0.050	2	123.3580	0.582	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H)	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|P<3>}	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H){1|Si<4>,2|H<1>,2|P<3>,3|C<3>}	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|P<3>}	125.4530	0.000	1	125.5805	0.154	4	125.5805	0.154	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H)	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|P<4>}	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H){1|Au<2>,1|Si<4>,2|H<1>,2|P<3>,3|C<3>}	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H){1|Au<2>,1|C<4>,1|H<1>,1|P<3>}	125.9580	0.000	1	125.5805	0.154	4	125.5805	0.154	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H)	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|P<4>}	C[6](C[5,3x6]C[6,6,6a]P[5,6,6]C[5,6])(C[6]C[6]H)(H){1|Cu<3>,1|Si<4>,2|H<1>,2|P<3>,3|C<3>}	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H){1|Cu<3>,1|C<4>,1|H<1>,1|P<3>}	125.4555	0.523	2	125.5805	0.154	4	125.5805	0.154	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]H)(H)	C[6](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]O[5,5])(C[6]C[6]H)(H)	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,5,6,6]C[4,5,6,6]C[5,6,6a]O[5,5])(C[6]C[6]H)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[4,5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	121.4950	0.000	1	121.4950	0.000	1	121.9665	0.445	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]H)(H)	C[6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,5,6,6]C[5,6,6a]C[5,6,6]C[5,5])(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.4380	0.000	1	122.4380	0.000	1	121.9665	0.445	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,5,6]C[3x5,6]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,5,6]C[3x5,6]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|H<1>,1|O<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7480	0.250	2	121.7480	0.063	2	122.1217	0.450	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(O)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,2|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]Cl)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<2>}	122.8690	0.000	1	122.8690	0.000	1	122.1217	0.450	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O-1:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5,5,6]O)(C[6]C[6,6a]H)(H)	C[6](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(C[6]C[6]H)(O)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]O)(C[6]C[6,6a]H)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,5,6]C[5,6,6a]C[5,5,6]O[5])(C[6]C[6]H)(O){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	123.1595	0.203	2	123.1595	0.041	2	123.1595	0.041	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.6260	0.143	2	121.6260	0.020	2	121.3810	0.190	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	120.8910	0.000	1	120.8910	0.000	1	121.3810	0.190	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[3,5,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[3,5,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,4|C<4>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.8130	0.861	2	121.8130	0.742	2	121.7335	0.319	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,5|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	121.3470	0.000	1	121.3470	0.000	1	121.7335	0.319	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6,6]C[6,6a]C[5,6]N[5,6])(C[6]C[6]H)(H){1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	121.9610	0.000	1	121.9610	0.000	1	121.7335	0.319	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	122.6896	0.353	8	122.6896	0.125	8	122.6896	0.125	8	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(Br)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(Br){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|Br<1>,2|C<4>}	120.5725	0.561	2	120.5725	0.314	2	120.0542	0.500	5	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|Br<1>,2|C<4>}	119.9050	0.000	1	119.9050	0.000	1	120.0542	0.500	5	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H){1|Hf<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(Br){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<12>,1|Br<1>,2|C<4>}	119.6105	0.856	2	119.6105	0.733	2	120.0542	0.500	5	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]Cl)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]Cl)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|Cl<1>,1|C<4>,1|H<1>}	121.8220	0.000	1	121.8220	0.000	1	121.8220	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,6|C<4>}	121.5770	0.000	1	121.5770	0.000	1	122.2870	0.285	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,6|C<4>}	122.3570	0.000	1	122.3570	0.000	1	122.2870	0.285	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6,6]N[5]H)(C[6]C[6]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	122.3420	0.000	1	122.3420	0.000	1	122.2870	0.285	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6,6]O[5]H)(C[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	122.8720	0.000	1	122.8720	0.000	1	122.2870	0.285	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]C[6]H)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(H){1|C<4>,1|N<3>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]N[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	122.5710	0.779	2	122.5710	0.607	2	122.5710	0.607	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[5,6]H)(C[6]C[6]Cl)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[5,6]H)(C[6]C[6]Cl)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|O<1>}	119.6600	0.000	1	119.6600	0.000	1	119.6600	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]Li)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Li<7>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[5,6]C[5,5]C[5,6]Li)(C[6]C[6]H)(H){1|Li<7>,1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Li<7>,1|H<1>,2|C<4>}	119.8560	0.000	1	119.8560	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,2|C<4>}	121.3565	0.630	2	121.3565	0.397	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	120.9310	0.000	1	121.2060	0.151	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	121.4810	0.000	1	121.2060	0.151	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2Hf)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Hf)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<12>,1|H<1>,2|C<4>}	121.1613	0.196	6	120.7976	0.917	10	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2Hf)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Hf)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<13>,1|H<1>,2|C<4>}	120.2520	1.423	4	120.7976	0.917	10	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2Mn)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Mn)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<8>,1|H<1>,2|C<4>}	121.2643	0.118	4	121.2643	0.014	4	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2Nd)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Nd<19>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Nd)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Nd<19>,1|H<1>,2|C<4>}	120.2540	0.000	1	120.2540	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	121.6647	0.344	8	121.7881	0.161	10	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Ru)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	122.2815	0.110	2	121.7881	0.161	10	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<12>,1|H<1>,2|C<4>}	121.4153	0.508	6	120.9566	0.438	13	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	120.5634	0.520	7	120.9566	0.438	13	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]B[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<9>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]B[5]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,2|C<4>}	121.1160	0.024	2	121.1160	0.001	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){4|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	121.7810	0.000	1	121.7810	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<10>,1|H<1>,2|C<4>}	121.1784	0.175	7	121.5410	0.185	43	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<10>,1|H<1>,2|C<4>}	121.6590	0.605	3	121.5410	0.185	43	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<10>,1|H<1>,2|C<4>}	121.1052	0.518	4	121.5410	0.185	43	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<11>,1|H<1>,2|C<4>}	121.8694	0.240	20	121.5410	0.185	43	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<11>,1|H<1>,2|C<4>}	120.9940	0.057	2	121.5410	0.185	43	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<9>,1|H<1>,2|C<4>}	121.3905	0.120	4	121.5410	0.185	43	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Co<9>,1|H<1>,2|C<4>}	121.2260	0.148	3	121.5410	0.185	43	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cr<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cr<10>,1|H<1>,2|C<4>}	121.2738	0.324	13	121.2799	0.108	28	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cr<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cr<10>,1|H<1>,2|C<4>}	121.2282	0.371	9	121.2799	0.108	28	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cr<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|P<3>,1|P<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cr<8>,1|H<1>,2|C<4>}	121.0730	0.000	1	121.2799	0.108	28	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cr<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cr<8>,1|H<1>,2|C<4>}	120.9480	0.000	1	121.2799	0.108	28	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cr<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cr<9>,1|H<1>,2|C<4>}	121.5495	0.158	2	121.2799	0.108	28	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cr<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Cr<9>,1|H<1>,2|C<4>}	121.5520	0.270	2	121.2799	0.108	28	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Eu<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Eu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Eu<12>,1|H<1>,2|C<4>}	119.9070	1.256	4	120.9453	2.074	12	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Eu<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Eu)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Eu<12>,1|H<1>,2|C<4>}	122.4300	1.043	4	120.9453	2.074	12	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Eu<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Eu)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Eu<13>,1|H<1>,2|C<4>}	120.4735	0.586	2	120.9453	2.074	12	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Eu)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Eu<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Eu)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Eu<13>,1|H<1>,2|C<4>}	120.5245	0.740	2	120.9453	2.074	12	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|Br<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	121.5010	0.000	1	121.5010	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|C<4>,1|H<1>,1|P<3>}	121.2520	0.000	1	121.5657	0.309	45	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	122.0685	0.200	2	121.5657	0.309	45	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	121.4733	0.513	19	121.5657	0.309	45	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	121.0937	0.722	3	121.5657	0.309	45	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<11>,1|H<1>,2|C<4>}	121.9755	0.590	2	121.5657	0.309	45	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<8>,1|H<1>,2|C<4>}	121.3320	0.000	1	121.5657	0.309	45	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<8>,1|H<1>,2|C<4>}	121.5990	0.014	2	121.5657	0.309	45	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<8>,1|H<1>,2|C<4>}	121.8003	0.646	12	121.5657	0.309	45	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<8>,1|H<1>,2|C<4>}	121.3980	0.000	1	121.5657	0.309	45	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<9>,1|H<1>,2|C<4>}	121.1560	0.025	2	121.5657	0.309	45	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Gd)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Gd<16>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Gd)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Gd<16>,1|H<1>,2|C<4>}	121.2180	0.383	4	121.2180	0.146	4	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	121.1950	0.000	1	121.0650	0.034	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|P<4>,2|H<1>}	120.9350	0.000	1	121.0650	0.034	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<12>,1|Br<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]Br)(C[6]C[6]H)(H){1|Hf<12>,1|H<1>,2|C<4>}	121.6515	0.943	2	121.6515	0.888	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<11>,1|H<1>,2|C<4>}	121.5607	0.478	8	121.7627	0.819	21	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<12>,1|H<1>,2|C<4>}	121.8160	0.201	6	121.7627	0.819	21	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<12>,1|H<1>,2|C<4>}	121.6650	0.377	3	121.7627	0.819	21	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<13>,1|H<1>,2|C<4>}	120.8095	2.386	2	121.7627	0.819	21	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Hf<13>,1|H<1>,2|C<4>}	123.5105	0.547	2	121.7627	0.819	21	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ho)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ho<14>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ho)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ho<14>,1|H<1>,2|C<4>}	121.6600	0.000	1	121.5520	0.023	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ho)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ho<14>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ho)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ho<14>,1|H<1>,2|C<4>}	121.4440	0.000	1	121.5520	0.023	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ir<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ir)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ir<9>,1|H<1>,2|C<4>}	121.6287	0.328	4	121.6287	0.108	4	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Li)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Li<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Li)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Li<7>,1|H<1>,2|C<4>}	121.1660	0.000	1	121.2600	0.113	4	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Li)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Li<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Li)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Li<7>,1|H<1>,2|C<4>}	121.3490	0.000	1	121.2600	0.113	4	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Li)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Li<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Li)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Li<8>,1|H<1>,2|C<4>}	121.2625	0.566	2	121.2600	0.113	4	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Lu)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Lu<16>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Lu)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Lu<16>,1|H<1>,2|C<4>}	121.2540	0.000	1	121.1860	0.009	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Lu)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Lu<16>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Lu)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Lu<16>,1|H<1>,2|C<4>}	121.1180	0.000	1	121.1860	0.009	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<10>,1|H<1>,2|C<4>}	121.2659	0.412	12	121.4670	0.236	34	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<10>,1|H<1>,2|C<4>}	121.3765	0.030	2	121.4670	0.236	34	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<10>,1|H<1>,2|C<4>}	121.2349	0.507	8	121.4670	0.236	34	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<8>,1|H<1>,2|C<4>}	121.9210	0.000	2	121.4670	0.236	34	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<8>,1|H<1>,2|C<4>}	121.3910	0.000	1	121.4670	0.236	34	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mn)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mn<8>,1|H<1>,2|C<4>}	121.8691	0.407	9	121.4670	0.236	34	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<10>,1|H<1>,2|C<4>}	121.6990	0.499	2	121.9151	0.693	57	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<10>,1|H<1>,2|C<4>}	121.5893	0.332	13	121.9151	0.693	57	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<10>,1|H<1>,2|C<4>}	121.9637	0.029	3	121.9151	0.693	57	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<11>,1|H<1>,2|C<4>}	121.7140	0.000	1	121.9151	0.693	57	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H){1|Mo<9>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<11>,1|H<1>,2|C<4>}	121.5210	0.000	1	121.9151	0.693	57	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<12>,1|H<1>,2|C<4>}	122.2810	1.091	26	121.9151	0.693	57	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<12>,1|H<1>,2|C<4>}	121.5422	0.357	4	121.9151	0.693	57	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<8>,1|H<1>,2|C<4>}	121.3430	0.082	2	121.9151	0.693	57	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	121.3620	0.000	1	121.9151	0.693	57	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	121.6135	0.120	4	121.9151	0.693	57	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Nd)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Nd<19>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Nd)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Nd<19>,1|H<1>,2|C<4>}	121.7290	0.000	1	121.7290	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ni<7>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,2|C<4>}	121.4290	0.000	1	121.3734	0.337	25	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,2|C<4>}	121.3960	0.164	5	121.3734	0.337	25	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ni)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,2|C<4>}	121.3373	0.730	15	121.3734	0.337	25	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ni<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ni)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ni<8>,1|H<1>,2|C<4>}	121.2590	0.222	2	121.3734	0.337	25	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ni<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ni)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ni<8>,1|H<1>,2|C<4>}	121.6745	0.480	2	121.3734	0.337	25	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Os)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Os<8>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]C[5]Os)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	121.1340	0.000	1	121.1340	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Pd<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Pd<7>,1|H<1>,2|C<4>}	121.1909	0.325	8	121.1909	0.105	8	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Re)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Re<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Re)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Re<8>,1|H<1>,2|C<4>}	121.7404	0.736	10	121.7619	0.448	12	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Re)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Re<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Re)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Re<8>,1|H<1>,2|C<4>}	121.8695	0.149	2	121.7619	0.448	12	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<4>}	121.4780	0.000	1	121.5972	0.741	42	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<4>}	121.3135	0.361	2	121.5972	0.741	42	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<4>}	121.1680	0.000	1	121.5972	0.741	42	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<4>}	122.4130	4.094	2	121.5972	0.741	42	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<4>}	122.4485	0.087	2	121.5972	0.741	42	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<7>,1|H<1>,2|C<4>}	121.5673	0.193	3	121.5972	0.741	42	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<7>,1|H<1>,2|C<4>}	121.2827	0.471	13	121.5972	0.741	42	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,2|C<4>}	121.9035	0.913	2	121.5972	0.741	42	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,2|C<4>}	122.3320	0.147	6	121.5972	0.741	42	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,2|C<4>}	121.3005	0.334	6	121.5972	0.741	42	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<4>}	120.8410	0.000	1	121.5972	0.741	42	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<4>}	121.4227	0.294	3	121.5972	0.741	42	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,2|C<4>}	121.6080	0.000	1	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,2|C<4>}	121.7350	0.093	2	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,2|C<4>}	121.4862	0.270	5	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	122.0122	0.191	8	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<5>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|C<4>,1|H<1>,1|P<5>}	121.8960	1.242	2	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|P<5>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|C<4>,1|H<1>,1|P<5>}	122.7540	0.000	1	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<5>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	121.4927	0.519	12	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	121.6109	0.642	9	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<4>,1|C<5>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	121.7358	0.679	14	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	122.2560	0.890	5	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,2|C<4>}	121.4323	0.451	48	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<8>,1|H<1>,2|C<4>}	122.6920	0.238	2	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|N<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<9>,1|B<4>,1|C<4>,1|H<1>}	120.9575	0.142	2	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,2|C<4>}	121.5570	0.416	3	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<9>,1|H<1>,2|C<4>}	121.4390	0.000	1	121.6113	0.330	115	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Sc<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Sc<13>,1|H<1>,2|C<4>}	121.7410	0.751	2	121.4787	0.182	6	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Sc<15>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Sc<15>,1|H<1>,2|C<4>}	121.3475	0.214	4	121.4787	0.182	6	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Sm<14>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Sm)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Sm<14>,1|H<1>,2|C<4>}	120.0680	0.000	1	122.0423	5.487	10	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Sm<14>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Sm)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Sm<14>,1|H<1>,2|C<4>}	122.4820	0.000	1	122.0423	5.487	10	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Sm<16>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Sm)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Sm<16>,1|H<1>,2|C<4>}	122.4963	3.043	4	122.0423	5.487	10	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Sm)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Sm<16>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Sm)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Sm<16>,1|H<1>,2|C<4>}	121.9720	2.357	4	122.0423	5.487	10	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<11>,1|H<1>,2|C<4>}	122.0050	0.000	2	121.5007	0.323	36	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<11>,1|H<1>,2|C<4>}	122.2450	0.000	2	121.5007	0.323	36	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<11>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<11>,1|H<1>,2|C<4>}	121.2810	0.189	4	121.5007	0.323	36	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<12>,1|H<1>,2|C<4>}	121.3318	0.476	6	121.5007	0.323	36	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<12>,1|H<1>,2|C<4>}	121.2823	0.518	7	121.5007	0.323	36	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<13>,1|H<1>,2|C<4>}	121.3510	0.606	4	121.5007	0.323	36	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<8>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<8>,1|H<1>,2|C<4>}	121.7412	0.272	5	121.5007	0.323	36	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<9>,1|H<1>,2|C<4>}	122.7540	0.000	1	121.5007	0.323	36	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<9>,1|H<1>,2|C<4>}	121.8760	0.819	2	121.5007	0.323	36	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<9>,1|H<1>,2|C<4>}	121.2785	0.460	2	121.5007	0.323	36	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ti<9>,1|H<1>,2|C<4>}	120.2620	0.000	1	121.5007	0.323	36	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Y)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Y<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Y)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Y<12>,1|H<1>,2|C<4>}	122.9495	0.702	2	121.0223	3.667	6	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Y)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Y<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Y)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Y<12>,1|H<1>,2|C<4>}	118.7930	0.491	2	121.0223	3.667	6	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Y)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Y<16>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Y)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Y<16>,1|H<1>,2|C<4>}	121.1640	0.000	1	121.0223	3.667	6	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Y)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Y<16>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Y)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Y<16>,1|H<1>,2|C<4>}	121.4850	0.000	1	121.0223	3.667	6	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Yb)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Yb<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Yb)(C[6]C[6]H)(H){1|B<3>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Yb<12>,1|H<1>,2|C<4>}	121.1220	0.510	4	121.3477	4.892	12	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Yb)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Yb<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Yb)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Yb<12>,1|H<1>,2|C<4>}	119.9025	4.658	2	121.3477	4.892	12	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Yb)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Yb<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Yb)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Yb<12>,1|H<1>,2|C<4>}	121.9798	2.216	6	121.3477	4.892	12	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	121.4725	0.183	2	121.4725	0.034	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<10>,1|H<1>,2|C<4>}	121.0270	0.000	1	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<10>,1|H<1>,2|C<4>}	121.5900	0.151	2	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<10>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<10>,1|H<1>,2|C<4>}	121.7830	0.000	1	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<12>,1|H<1>,2|C<4>}	121.5469	0.725	21	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<12>,1|H<1>,2|C<4>}	121.4648	0.560	45	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<12>,1|H<1>,2|C<4>}	120.8465	0.967	2	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<12>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<12>,1|H<1>,2|C<4>}	121.4706	0.458	12	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	122.1502	0.293	8	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	121.3667	0.277	10	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	121.4900	0.406	28	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	121.6103	0.299	4	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	121.4335	0.459	2	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<4>}	121.7670	0.209	5	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<14>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<14>,1|H<1>,2|C<4>}	121.7050	0.494	4	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<14>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<14>,1|H<1>,2|C<4>}	121.4831	1.004	7	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<14>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<14>,1|H<1>,2|C<4>}	120.0285	0.033	2	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<15>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<15>,1|H<1>,2|C<4>}	121.1605	0.424	4	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<9>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<9>,1|H<1>,2|C<4>}	121.4696	0.910	8	121.4947	0.347	166	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	121.8640	0.010	2	121.8640	0.000	2	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	121.9220	0.000	1	121.9220	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	120.8860	0.000	1	120.8860	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	121.9270	0.000	1	121.9270	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.6830	0.000	1	121.6830	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]P[5]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|C<4>,1|H<1>,1|P<3>}	C[6](C[5,6]C[5,6]P[5]Fe)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<4>}	121.1830	0.000	1	121.1830	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|P<4>,2|H<1>}	C[6](C[5,6]C[5,6]P[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	120.8390	0.000	1	120.8390	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]P[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|C<4>,1|H<1>,1|P<5>}	C[6](C[5,6]C[5,6]P[5]Ru)(C[6]C[6]H)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	121.4857	1.086	3	121.4857	1.179	3	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	122.1650	0.000	1	122.1650	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<4>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>}	121.5200	0.000	1	121.5200	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	120.8410	0.000	1	120.3203	0.216	3	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<2>}	120.0600	0.161	2	120.3203	0.216	3	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|O<2>,2|H<1>}	121.9300	0.000	1	121.5480	0.318	10	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	122.3775	0.026	2	121.5480	0.318	10	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	120.9573	0.032	3	121.5480	0.318	10	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	121.4808	0.303	4	121.5480	0.318	10	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,4|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.2330	0.000	1	121.2330	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]Si[5,5]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[5,6]Si[5,5]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.5550	0.000	1	121.5550	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]Si[5,6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[5,6]Si[5,6]C[5,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,3|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.2740	0.000	1	121.2740	0.000	1	121.5156	0.584	778	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5a]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,5a]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7630	0.044	2	121.7630	0.002	2	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.4305	0.499	4	121.4305	0.249	4	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,1|H<1>,1|O<2>}	121.2700	0.315	2	121.2700	0.099	2	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	122.1090	0.000	1	122.1090	0.000	1	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.6493	0.598	10	121.6898	0.312	12	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.8920	0.344	2	121.6898	0.312	12	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6a]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.8522	0.506	4	121.8522	0.256	4	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.4767	0.470	6	121.3374	0.151	12	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.1685	0.161	2	121.3374	0.151	12	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.3660	0.423	2	121.3374	0.151	12	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.0600	0.153	2	121.3374	0.151	12	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|O<1>,3|H<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.5565	0.248	2	121.7456	0.146	22	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7915	0.463	4	121.7456	0.146	22	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<4>}	121.3230	0.000	1	121.7456	0.146	22	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7595	0.293	2	121.7456	0.146	22	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7100	0.409	2	121.7456	0.146	22	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7325	0.367	10	121.7456	0.146	22	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|Cl<1>,1|C<4>,1|H<1>}	122.5370	0.000	1	121.7456	0.146	22	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	120.9570	0.726	4	121.4259	0.403	16	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7950	0.144	2	121.4259	0.403	16	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.3100	1.604	2	121.4259	0.403	16	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7360	0.520	2	121.4259	0.403	16	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.5508	0.166	6	121.4259	0.403	16	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.6910	0.161	6	121.6910	0.026	6	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	122.0825	0.455	2	121.9052	0.133	4	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[5,6]C[6]N[5]O[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7280	0.260	2	121.9052	0.133	4	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.3050	0.243	4	121.3050	0.059	4	121.5937	0.228	89	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](N[6]C[5,6]Pt)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]N[6]H)(H){1|Ru<10>,1|Pt<4>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]Pt)(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,2|C<4>}	122.0190	0.772	4	122.0190	0.596	4	122.0190	0.596	4	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(H){1|C<3>,1|C<4>,2|O<2>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]H)(H){1|O<1>,2|H<1>,3|C<4>}	121.8090	0.000	1	121.8090	0.000	1	121.8090	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|O<1>}	119.9380	0.000	1	119.9380	0.000	1	119.9380	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	122.2385	0.127	2	122.2385	0.016	2	121.4270	0.956	13	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6a]N[5,6a]C[6])(C[6]C[6]H)(O){3|H<1>,5|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>}	123.5950	0.000	1	123.5950	0.000	1	121.4270	0.956	13	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	121.0310	0.000	1	121.0310	0.000	1	121.4270	0.956	13	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	120.1225	0.762	2	121.0498	0.501	9	121.4270	0.956	13	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	120.8567	0.122	3	121.0498	0.501	9	121.4270	0.956	13	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	121.6582	0.166	4	121.0498	0.501	9	121.4270	0.956	13	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(O)	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]N[6]H)(H){1|Fe<10>,1|S<4>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(O){1|N<3>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6]S)(C[6]C[6]H)(H){1|Fe<10>,1|O<1>,2|C<4>}	124.2735	1.022	2	124.2735	1.044	2	124.2735	1.044	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]H)(H){4|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5])(C[6]C[6]H)(H){1|O<2>,2|C<4>,4|H<1>}	120.1850	0.000	1	120.1850	0.000	1	120.1850	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[5,6,6]O[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	121.6480	0.000	1	121.6480	0.000	1	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[5,6]N[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.7350	0.000	1	120.7350	0.000	1	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Rh<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]2Rh)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Rh<9>,1|H<1>,2|C<4>}	121.7770	0.000	1	121.7770	0.000	1	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]As[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|As<3>,1|Mo<9>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]As[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	120.2870	0.000	1	120.2870	0.000	1	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	119.6290	0.000	1	119.6290	0.000	1	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Ce)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ce<16>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Ce)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ce<16>,1|H<1>,2|C<4>}	119.5870	0.345	2	119.5870	0.119	2	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Cr<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Cr<9>,1|H<1>,2|C<4>}	120.9870	0.048	2	120.9870	0.002	2	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Dy)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Dy<16>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Dy)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Dy<16>,1|H<1>,2|C<4>}	119.8100	0.581	2	119.8100	0.338	2	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Fe<11>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Fe)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Fe<11>,1|H<1>,2|C<4>}	120.5700	0.276	2	120.5700	0.076	2	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H){1|As<3>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|As<3>,1|Mo<9>,1|C<4>,1|H<1>}	120.5060	0.000	1	120.7548	1.350	6	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	121.7050	0.000	1	120.7548	1.350	6	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|C<4>,1|H<1>,1|N<3>}	120.0010	0.000	1	120.7548	1.350	6	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	118.9080	0.000	1	120.7548	1.350	6	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	121.7060	0.000	1	120.7548	1.350	6	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Mo)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	121.7030	0.000	1	120.7548	1.350	6	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Re<12>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Re<12>,1|H<1>,2|C<4>}	121.0260	0.167	4	120.9715	0.027	6	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Re)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Re<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Re)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Re<9>,1|H<1>,2|C<4>}	120.8625	0.115	2	120.9715	0.027	6	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Rh<7>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]Rh)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	120.6440	0.000	1	121.0477	0.138	3	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Rh)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Rh)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Rh<8>,1|H<1>,2|C<4>}	121.2495	0.180	2	121.0477	0.138	3	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|C<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	120.3795	1.283	2	120.3795	1.647	2	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ru<10>,1|H<1>,2|C<4>}	120.6517	0.632	8	120.8461	0.414	30	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	121.0390	0.957	2	120.8461	0.414	30	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	120.9045	0.642	20	120.8461	0.414	30	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Y)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Y<16>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Y)(C[6]C[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Y<16>,1|H<1>,2|C<4>}	119.8670	0.871	2	119.8670	0.759	2	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|C<4>,1|H<1>,1|N<3>}	120.4090	1.001	4	120.5078	0.801	5	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]Mo)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6]Mo)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Mo<9>,1|H<1>,2|C<4>}	120.9030	0.000	1	120.5078	0.801	5	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Zr<14>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	120.9060	0.000	1	120.9060	0.000	1	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6]P[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|H<1>,1|P<4>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6]P[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	118.8750	0.000	1	118.8750	0.000	1	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|H<1>,2|N<3>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.0730	0.000	1	120.8100	0.138	2	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|H<1>,2|N<3>}	C[6](C[6,6]N[5,6]N[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.5470	0.000	1	120.8100	0.138	2	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]N[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.9540	0.000	1	120.9540	0.000	1	120.6980	0.560	72	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	121.1565	0.104	2	121.1565	0.011	2	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	120.9320	0.017	2	121.3394	0.243	46	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|F<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	121.3041	0.338	8	121.3394	0.243	46	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	121.2230	0.343	23	121.3394	0.243	46	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	121.1725	0.221	4	121.3394	0.243	46	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|Cl<1>,1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	121.4690	0.000	1	121.3394	0.243	46	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|F<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	122.7150	1.020	2	121.3394	0.243	46	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	121.9430	0.266	3	121.3394	0.243	46	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	121.2120	0.713	2	121.3394	0.243	46	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	121.3440	0.000	1	121.3394	0.243	46	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,5|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	122.2240	0.399	4	122.2240	0.159	4	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]2O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	121.2340	0.000	1	121.2340	0.000	1	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	121.2520	0.209	5	121.4988	0.413	10	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	121.8990	0.000	1	121.4988	0.413	10	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	121.7073	0.984	4	121.4988	0.413	10	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|F<1>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<4>}	120.7240	0.228	6	120.7240	0.052	6	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	122.0980	0.000	1	122.0980	0.000	1	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,2|H<1>}	122.1540	0.000	1	122.1540	0.000	1	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.3820	0.247	2	121.3820	0.061	2	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6,6]C[6,6a]N[5a,6]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.9760	0.235	4	121.9760	0.055	4	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7980	0.520	4	121.7980	0.270	4	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	122.0465	0.706	2	121.8818	0.201	6	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7995	0.376	4	121.8818	0.201	6	121.4573	0.319	87	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]N[6,6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]N[6,6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,4|H<1>}	118.3430	0.000	1	118.3430	0.000	1	118.3430	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6,6]S)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]N[6]O)(H){1|C<3>,1|S<4>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]S)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.8530	0.000	1	122.8530	0.000	1	122.8530	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){1|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	122.1485	0.794	2	122.1485	0.631	2	122.1485	0.631	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|Br<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(Br){1|O<1>,3|C<4>}	121.0220	0.000	1	121.0220	0.000	1	121.0220	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O){1|C<2>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	120.9890	0.000	1	120.9890	0.000	1	121.9534	0.429	5	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|Cr<9>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|Cr<9>,1|O<1>,2|C<4>}	122.4650	0.146	2	122.4650	0.021	2	121.9534	0.429	5	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	121.9240	0.488	2	121.9240	0.238	2	121.9534	0.429	5	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]N[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]N[6]H)(H){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>}	120.3200	0.000	1	120.3200	0.000	1	120.3200	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(Br){1|Br<1>,2|C<3>}	C[6](C[6]C[6]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	118.5630	0.000	1	118.5630	0.000	1	118.5630	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|Br<1>,1|C<4>,1|H<1>}	121.8820	0.000	1	121.8830	0.000	2	121.8830	0.000	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|Br<1>,1|C<4>,1|H<1>}	121.8840	0.000	1	121.8830	0.000	2	121.8830	0.000	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(Cl){1|Cl<1>,2|C<3>}	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	119.5075	0.059	2	119.5075	0.003	2	119.5075	0.003	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3x3,4,3x5,14x6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|C<5>,2|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<6>,1|H<1>,2|C<4>}	120.0610	0.000	1	120.0610	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|H<1>,2|C<4>}	C[6](C[6]C[4]C[6]Ni)(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|C<4>,2|H<1>}	120.8950	0.133	2	120.8950	0.018	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6]Pd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6]Pd)(C[6]C[6]H)(H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<4>,2|H<1>}	120.5400	0.000	1	120.5400	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6]Yb)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<15>,1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6]Yb)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>,1|N<3>,1|P<3>}	C[6](C[6]C[6]H)2(H){1|Yb<15>,1|C<4>,1|H<1>,1|H<2>}	120.2870	0.000	1	120.2870	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[5]C[6]Zr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<4>,1|H<1>}	120.7770	0.000	1	120.7770	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5x3,5x5,20x6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|C<6>,2|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[4,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|C<6>,4|B<6>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(H){1|C<6>,1|H<1>,2|C<4>}	120.1550	0.000	1	120.1550	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,3|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){2|C<4>,2|H<1>}	120.2320	0.000	1	120.2320	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2Co)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Co<8>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Co)(C[6]C[6]H)(H){1|Ni<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Co<8>,1|Ni<7>,1|C<4>,1|H<1>}	120.1105	0.291	4	120.1105	0.085	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Li<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2Li)(C[6]C[6]H)(H){1|Ni<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Li<5>,1|Ni<7>,1|C<4>,1|H<1>}	120.2400	0.000	1	120.0075	0.108	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2Li)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Li<6>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Li)(C[6]C[6]H)(H){1|Ni<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Li<6>,1|Ni<7>,1|C<4>,1|H<1>}	119.7750	0.000	1	120.0075	0.108	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mn<8>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Mn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|Mn<8>,1|H<1>,2|C<4>}	119.1676	0.588	7	119.0612	0.219	13	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2Mn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mn<8>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Mn)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Mn<8>,1|H<1>,2|C<4>}	118.9370	0.278	6	119.0612	0.219	13	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<8>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Ni)(C[6]C[6]H)(H){1|Ni<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Ni<7>,1|Ni<8>,1|C<4>,1|H<1>}	120.2957	0.472	4	120.3158	0.251	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<9>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Ni)(C[6]C[6]H)(H){1|Ni<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Ni<7>,1|Ni<9>,1|C<4>,1|H<1>}	120.3560	0.765	2	120.3158	0.251	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Re<8>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Re)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|Re<8>,1|H<1>,2|C<4>}	119.8495	1.469	2	119.6980	1.147	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2Re)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Re<8>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Re)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Re<8>,1|H<1>,2|C<4>}	119.3950	0.000	1	119.6980	1.147	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2Zr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2Zr)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<4>,1|H<1>}	120.1105	0.855	2	120.1105	0.731	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Al2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Al2)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	119.6020	0.000	1	119.6020	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]AlH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Al<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]AlH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.0230	0.129	2	119.8447	0.105	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]AlH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Al<7>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]AlH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	119.7555	0.370	4	119.8447	0.105	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]BaH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ba<10>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BaH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ba<10>,1|C<4>,1|H<1>,1|N<3>}	117.8880	0.000	1	117.8880	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]BaN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ba<10>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]BaN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ba<10>,1|C<4>,2|H<1>}	121.9750	0.000	1	121.9750	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.6370	0.000	1	121.6370	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<2>}	121.0140	0.000	2	121.0140	0.000	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	119.9750	0.013	2	120.7824	0.836	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	121.7760	0.239	2	120.7824	0.836	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	121.8730	0.000	1	120.7824	0.836	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|H<1>,3|C<4>}	119.6870	0.000	1	120.7824	0.836	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,3|H<1>}	120.5985	0.243	2	120.7824	0.836	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	121.0640	0.000	1	121.0640	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	120.5905	0.327	2	120.5905	0.107	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|U<11>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CU)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|U<11>,1|C<4>,2|H<1>}	121.0460	0.110	2	121.0460	0.012	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CW)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|W<12>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CW)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|W<12>,1|H<1>,2|C<4>}	120.3644	0.169	5	120.3644	0.028	5	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CY)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Y<10>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CY)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Y<10>,1|C<4>,1|H<1>,1|H<2>}	119.5690	0.000	1	120.7532	0.758	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CY)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Y<17>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CY)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Y<17>,1|C<4>,1|H<1>,1|H<2>}	121.1480	0.450	3	120.7532	0.758	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CaC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ca<12>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[6]C[6]CaC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ca<12>,1|C<4>,2|H<1>}	121.4905	0.339	2	121.2480	0.234	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CaC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ca<8>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CaC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ca<8>,1|C<4>,2|H<1>}	120.7630	0.000	1	121.2480	0.234	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CaH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ca<12>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CaH)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ca<12>,1|C<4>,1|C<5>,1|H<1>}	118.5595	0.380	2	118.6947	0.127	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CaH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ca<8>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CaH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ca<8>,1|H<1>,2|C<4>}	118.9650	0.000	1	118.6947	0.127	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CeC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ce<18>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CeC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Ce<18>,1|C<4>,1|H<1>,1|H<2>}	121.7907	0.194	3	121.7907	0.038	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CeF)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ce<22>,1|C<4>,1|F<2>,1|H<1>}	C[6](C[6]C[6]CeF)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ce<22>,1|C<4>,1|H<1>,1|N<3>}	118.9767	0.253	3	118.9767	0.064	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CeH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ce<13>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]CeH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ce<13>,1|C<4>,1|H<1>,1|N<3>}	118.2880	0.000	1	118.2002	0.090	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CeH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ce<18>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]CeH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ce<18>,1|H<1>,2|C<4>}	118.1710	0.360	3	118.2002	0.090	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CeN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ce<13>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CeN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Ce<13>,1|C<4>,1|H<1>,1|H<2>}	121.7300	0.000	1	121.5395	0.073	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CeN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ce<22>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CeN)(C[6]C[6]H)(H){1|C<3>,1|F<2>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ce<22>,1|C<4>,1|F<2>,1|H<1>}	121.4760	0.291	3	121.5395	0.073	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ClZr)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|Cl<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]ClZr)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<4>,1|H<1>}	120.2150	0.303	2	120.2150	0.092	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CoB)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Co<6>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CoB)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Co<6>,1|C<4>,2|H<1>}	120.6240	0.000	1	120.6240	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CoH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Co<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CoH)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Co<6>,1|B<4>,1|C<4>,1|H<1>}	119.8750	0.000	1	119.8750	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CoNi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Co<8>,1|Ni<7>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CoNi)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Co<8>,1|H<1>,2|C<4>}	121.0207	0.145	4	121.0207	0.021	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cr<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CrC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.4700	0.909	2	120.4700	0.827	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cr<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CrH)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cr<6>,1|Si<5>,1|C<4>,1|H<1>}	119.9410	0.000	1	119.9355	0.000	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cr<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CrH)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cr<7>,1|Si<5>,1|C<4>,1|H<1>}	119.9300	0.000	1	119.9355	0.000	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cr<6>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CrN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Cr<6>,1|C<4>,1|H<1>,1|N<3>}	120.8470	0.195	2	120.8470	0.038	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CrO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cr<8>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]CrO)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cr<8>,1|C<4>,1|H<1>}	120.9873	0.183	4	120.9873	0.034	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CrSi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cr<6>,1|Si<5>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CrSi)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cr<6>,1|C<4>,2|H<1>}	120.3200	0.000	1	120.2270	0.017	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CrSi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cr<7>,1|Si<5>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CrSi)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cr<7>,1|C<4>,2|H<1>}	120.1340	0.000	1	120.2270	0.017	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Cu2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|Cu<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cu2)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	119.9900	0.539	2	119.9900	0.290	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CuB)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cu<5>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]CuB)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	118.5930	0.163	2	119.9567	0.701	9	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CuB)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cu<6>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CuB)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cu<6>,1|C<4>,2|H<1>}	120.3463	0.365	7	119.9567	0.701	9	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cu<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CuC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.2668	0.183	4	120.2668	0.033	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CuH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cu<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]CuH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	119.5880	0.000	1	119.5951	0.551	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CuH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cu<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CuH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Cu<4>,1|C<4>,2|H<1>}	120.4370	0.182	4	119.5951	0.551	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CuH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cu<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CuH)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cu<6>,1|B<4>,1|C<4>,1|H<1>}	119.1150	0.502	7	119.5951	0.551	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]DyN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Dy<15>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]DyN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Dy<15>,1|C<4>,1|H<1>,1|O<2>}	120.0330	0.000	1	120.0330	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Dy<15>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Dy<15>,1|C<4>,1|H<1>,1|N<3>}	119.1800	0.000	1	119.1800	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ErN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Er<16>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ErN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.6931	1.509	8	120.6931	2.276	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]FeB)(C[6]C[6]H)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Fe<5>,1|C<3>,2|B<4>}	C[6](C[6]C[6]FeB)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	120.2820	0.000	1	120.2820	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]FeB)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Fe<6>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]FeB)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Fe<6>,1|C<4>,2|H<1>}	120.3658	0.159	5	120.4044	0.192	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]FeB)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Fe<7>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]FeB)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|Fe<7>,1|C<4>,1|H<1>,1|P<4>}	120.7170	0.922	2	120.4044	0.192	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]FeB)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Fe<8>,1|B<5>,1|C<4>,1|H<1>}	C[6](C[6]C[6]FeB)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|Fe<8>,1|C<4>,1|H<1>,1|P<4>}	119.9720	0.000	1	120.4044	0.192	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]FeC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Fe<10>,1|H<1>,2|C<4>}	C[6](C[6]C[6]FeC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Fe<10>,1|C<4>,2|H<1>}	120.3830	0.000	1	120.3830	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]FeH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Fe<10>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Fe<10>,1|H<1>,2|C<4>}	119.3950	0.000	1	119.8085	0.082	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]FeH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Fe<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Fe<6>,1|B<4>,1|C<4>,1|H<1>}	119.8912	0.226	5	119.8085	0.082	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]FeP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Fe<7>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]FeP)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Fe<7>,1|B<4>,1|C<4>,1|H<1>}	119.6365	0.274	2	119.6347	0.037	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]FeP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Fe<8>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]FeP)(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Fe<8>,1|B<5>,1|C<4>,1|H<1>}	119.6310	0.000	1	119.6347	0.037	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]FeS)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Fe<9>,1|C<4>,1|H<1>,1|S<3>}	C[6](C[6]C[6]FeS)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|Fe<9>,1|C<4>,1|H<1>,1|S<3>}	120.9160	0.181	6	120.9160	0.033	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]GePd)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ge<5>,1|Pd<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]GePd)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.2510	0.190	2	120.2510	0.036	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	121.7670	0.000	1	121.7670	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	120.1430	0.000	1	121.3528	3.209	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	121.0950	0.000	1	121.3528	3.209	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	123.9600	0.000	1	121.3528	3.209	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	120.2130	0.000	1	121.3528	3.209	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|H<1>,2|C<4>}	120.3970	0.000	1	120.3415	0.006	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<4>,2|H<1>}	120.2860	0.000	1	120.3415	0.006	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	120.4793	0.379	4	119.6910	5.859	15	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	120.2598	0.388	5	119.6910	5.859	15	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.2420	0.000	2	119.6910	5.859	15	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){2|C<4>,2|H<1>}	120.0600	0.020	2	119.6910	5.859	15	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,3|H<1>}	115.7725	6.731	2	119.6910	5.859	15	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.9395	0.021	2	120.9395	0.000	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	119.9970	0.000	1	119.9970	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<2>,1|S<3>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>}	119.9495	1.484	2	119.9495	2.203	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.1410	0.000	1	120.1410	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<2>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>}	120.2014	0.253	5	120.3776	0.306	53	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.3959	0.574	48	120.3776	0.306	53	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|U<11>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HU)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|U<11>,1|H<1>,2|C<4>}	118.5325	0.336	2	118.4527	0.084	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|U<15>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HU)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|U<15>,1|C<4>,1|H<1>}	118.6120	0.000	1	118.4527	0.084	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|U<16>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HU)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	118.1340	0.000	1	118.4527	0.084	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HY)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Y<10>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]HY)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Y<10>,1|H<1>,2|C<4>}	117.0400	0.000	1	118.3533	1.089	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HY)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Y<17>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]HY)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Y<17>,1|H<1>,2|C<4>}	118.7910	0.696	3	118.3533	1.089	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HfC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Hf<10>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HfC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Hf<10>,1|C<4>,1|H<1>,1|N<3>}	120.6070	0.000	1	120.3572	0.068	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HfC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Hf<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HfC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.3310	0.320	2	120.3572	0.068	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HfC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Hf<9>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HfC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Hf<9>,1|C<4>,2|H<1>}	120.1600	0.000	1	120.3572	0.068	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HfH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Hf<10>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HfH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Hf<10>,1|H<1>,2|C<4>}	119.3270	0.000	1	119.3570	0.002	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HfH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Hf<9>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HfH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Hf<9>,1|H<1>,2|C<4>}	119.3870	0.000	1	119.3570	0.002	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Hf<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HfN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	120.0680	0.372	3	119.8074	0.147	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Hf<10>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HfN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Hf<10>,1|H<1>,2|C<4>}	119.5810	0.000	1	119.8074	0.147	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Hf<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HfN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	119.8947	0.231	3	119.8074	0.147	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Hf<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HfN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	119.6440	0.454	5	119.8074	0.147	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]HfO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Hf<13>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HfO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	120.5910	0.000	1	120.5910	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]IrRu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ir<5>,1|Ru<6>,1|C<4>,1|H<1>}	C[6](C[6]C[6]IrRu)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<6>,1|C<4>,2|H<1>}	120.5740	0.000	1	120.5740	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LaC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|La<18>,1|H<1>,2|C<4>}	C[6](C[6]C[6]LaC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|La<18>,1|C<4>,1|H<1>,1|H<2>}	121.7090	0.310	3	121.7090	0.096	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LaH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|La<18>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]LaH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|La<18>,1|H<1>,2|C<4>}	118.3493	0.303	3	118.3493	0.092	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LaO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|La<14>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]LaO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	120.3010	0.000	1	120.3010	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Li2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	119.8057	0.322	3	119.8638	0.068	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Li2)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	119.8651	0.267	8	119.8638	0.068	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Li2)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.0280	0.000	1	119.8638	0.068	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LiC)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Li<5>,1|C<3>,2|C<4>}	C[6](C[6]C[6]LiC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.3500	0.000	1	119.3500	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LiC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Li<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]LiC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.4935	0.233	2	120.4935	0.054	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Li<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]LiH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	119.6690	0.000	1	119.6690	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Li<4>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]LiN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	121.5680	1.228	2	121.5680	1.507	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LiNi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Li<3>,1|Ni<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]LiNi)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.1260	0.000	1	120.5643	0.122	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LiNi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Li<5>,1|Ni<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]LiNi)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	120.6370	0.000	1	120.5643	0.122	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LiNi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Li<6>,1|Ni<7>,1|C<4>,1|H<1>}	C[6](C[6]C[6]LiNi)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Li<6>,1|H<1>,2|C<4>}	120.7470	0.321	2	120.5643	0.122	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LiO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Li<5>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]LiO)(C[6]C[6]H)(H){1|Zn<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Li<5>,1|Zn<3>,1|C<4>,1|H<1>}	120.5617	0.476	3	120.5617	0.226	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LiZn)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Li<5>,1|Zn<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]LiZn)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|Li<5>,1|C<4>,1|H<1>,1|O<3>}	119.4603	0.197	3	119.4603	0.039	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Lu<11>,1|H<1>,2|C<4>}	C[6](C[6]C[6]LuC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Lu<11>,1|C<4>,1|H<1>,1|N<4>}	120.5040	0.000	1	120.5040	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]LuN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Lu<11>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]LuN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Lu<11>,1|H<1>,2|C<4>}	119.6640	0.000	1	119.6640	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Mg2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|Mg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Mg2)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	119.9350	0.106	2	119.9350	0.011	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]MgH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mg<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]MgH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	119.3040	0.000	1	119.7870	0.467	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]MgH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mg<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MgH)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Mg<7>,1|Si<5>,1|C<4>,1|H<1>}	120.2700	0.000	1	119.7870	0.467	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]MgSi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mg<7>,1|Si<5>,1|C<4>,1|H<1>}	C[6](C[6]C[6]MgSi)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Mg<7>,1|C<4>,2|H<1>}	120.1750	0.000	1	120.1750	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]MnC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mn<7>,1|H<1>,2|C<4>}	C[6](C[6]C[6]MnC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Mn<7>,1|C<4>,2|H<1>}	120.9680	0.000	1	121.1480	0.167	15	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]MnC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mn<8>,1|H<1>,2|C<4>}	C[6](C[6]C[6]MnC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Mn<8>,1|H<1>,2|C<4>}	121.1609	0.421	14	121.1480	0.167	15	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]MnH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mn<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MnH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Mn<7>,1|H<1>,2|C<4>}	118.9980	0.000	1	118.9980	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Mo2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mo<8>,1|Mo<9>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Mo2)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Mo<9>,1|C<4>,2|H<1>}	120.4705	0.176	2	120.4705	0.031	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]MoC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mo<10>,1|H<1>,2|C<4>}	C[6](C[6]C[6]MoC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Mo<10>,1|C<4>,2|H<1>}	120.4380	0.000	1	120.4667	0.005	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]MoC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mo<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]MoC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.4810	0.098	2	120.4667	0.005	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]MoH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mo<10>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Mo<10>,1|H<1>,2|C<4>}	120.0060	0.000	1	119.3023	0.412	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]MoH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mo<9>,1|C<4>,2|H<1>}	C[6](C[6]C[6]MoH)(C[6]C[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Mo<8>,1|Mo<9>,1|C<4>,1|H<1>}	118.9505	0.286	2	119.3023	0.412	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]MoN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Mo<7>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]MoN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Mo<7>,1|C<4>,1|H<1>,1|N<3>}	120.6017	0.369	8	120.6017	0.136	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|U<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.9112	0.814	4	120.4121	1.206	35	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|U<16>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|U<16>,1|C<4>,1|H<1>,1|N<3>}	120.6393	0.533	7	120.4121	1.206	35	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|U<16>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|U<16>,1|C<4>,1|H<1>,1|N<4>}	121.4938	0.608	9	120.4121	1.206	35	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|U<16>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|U<16>,1|C<4>,1|H<1>,1|N<3>}	119.1788	0.600	9	120.4121	1.206	35	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|U<18>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|U<18>,1|C<4>,1|H<1>,1|N<4>}	120.8760	0.544	3	120.4121	1.206	35	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|U<18>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|U<18>,1|C<4>,1|H<1>,1|N<3>}	119.2073	0.398	3	120.4121	1.206	35	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NV)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>,1|V<9>}	C[6](C[6]C[6]NV)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>,1|V<9>}	120.5226	0.383	19	120.5226	0.146	19	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NW)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|W<11>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NW)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|W<11>,1|C<4>,1|H<1>,1|N<3>}	120.4415	0.757	2	120.4415	0.574	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NY)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Y<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NY)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	118.9120	0.119	2	119.5220	1.123	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NY)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Y<12>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NY)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|S<3>}	120.7420	0.000	1	119.5220	1.123	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6]Ti)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ti<11>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]Ti)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<11>,1|C<4>,1|H<1>}	118.5345	0.062	2	118.5345	0.004	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NdC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Nd<18>,1|H<1>,2|C<4>}	C[6](C[6]C[6]NdC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Nd<18>,1|C<4>,1|H<1>,1|H<2>}	121.5463	0.261	3	121.5463	0.068	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NdH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Nd<18>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]NdH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Nd<18>,1|H<1>,2|C<4>}	118.4477	0.390	3	118.4477	0.152	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NdN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Nd<12>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]NdN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	120.2677	0.082	3	120.2677	0.007	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ni2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<4>,1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ni2)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.3140	0.000	1	120.8604	0.090	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ni2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<7>,1|Ni<8>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Ni2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<8>,1|H<1>,2|C<4>}	120.8912	0.163	4	120.8604	0.090	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ni2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<7>,1|Ni<9>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Ni2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<9>,1|H<1>,2|C<4>}	121.0230	0.430	2	120.8604	0.090	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ni2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|Ni<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Ni2)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<4>,1|C<4>,2|H<1>}	120.9580	0.000	1	120.8604	0.090	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NiB)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]NiB)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.2250	0.027	2	120.7670	0.529	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NiB)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]NiB)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|C<4>,2|H<1>}	121.3090	0.642	2	120.7670	0.529	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NiC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|H<1>,2|C<4>}	C[6](C[6]C[6]NiC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|C<4>,2|H<1>}	120.6022	0.988	9	120.6022	0.976	9	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Ni<4>,1|C<4>,1|H<1>}	119.6690	0.000	1	120.5548	6.004	15	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|B<4>,1|C<4>,1|H<1>}	118.8340	0.662	2	120.5548	6.004	15	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<5>,1|H<1>,2|C<4>}	120.9803	2.735	11	120.5548	6.004	15	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<6>,1|Si<5>,1|C<4>,1|H<1>}	120.2020	0.000	1	120.5548	6.004	15	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NiSi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<6>,1|Si<5>,1|C<4>,1|H<1>}	C[6](C[6]C[6]NiSi)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<6>,1|C<4>,2|H<1>}	120.6360	0.000	1	120.6360	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>}	122.0900	0.000	1	122.0900	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	122.2910	0.000	1	122.2910	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.1470	0.000	1	120.5370	0.692	34	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<4>}	120.6342	0.365	9	120.5370	0.692	34	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<9>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<4>}	120.6675	1.626	6	120.5370	0.692	34	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|V<12>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|V<12>,1|C<4>,1|H<1>,1|O<2>}	120.4665	0.691	18	120.5370	0.692	34	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OW)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<2>,1|W<8>}	C[6](C[6]C[6]OW)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<2>,1|W<8>}	121.0980	0.000	1	121.0642	1.887	28	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OW)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|W<10>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OW)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<4>}	120.6995	0.047	2	121.0642	1.887	28	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OW)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|W<10>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OW)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|W<10>,1|C<4>,1|H<1>,1|O<2>}	120.9817	1.258	23	121.0642	1.887	28	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OW)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|W<11>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OW)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|W<11>,1|C<4>,1|H<1>,1|O<2>}	122.3600	3.517	2	121.0642	1.887	28	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Os<4>,1|Os<5>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Os<5>,1|C<4>,1|H<1>}	119.8570	0.000	1	120.2799	0.973	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Os<4>,1|Os<6>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<5>,1|Os<6>,1|C<4>,1|H<1>}	120.2463	0.454	3	120.2799	0.973	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Os<5>,1|Os<6>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H){1|Os<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<4>,1|Os<6>,1|C<4>,1|H<1>}	119.3530	0.228	3	120.2799	0.973	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Os<7>,1|Os<9>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<9>,1|H<1>,2|C<4>}	120.9630	0.000	1	120.2799	0.973	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|Os<5>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H){1|Os<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<4>,1|Os<5>,1|C<4>,1|H<1>}	120.0130	0.000	1	120.2799	0.973	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|Os<5>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H){1|Os<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Os<5>,1|C<4>,1|H<1>}	120.5220	0.998	2	120.2799	0.973	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|Os<9>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Os2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<9>,1|H<1>,2|C<4>}	122.6840	0.000	1	120.2799	0.973	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OsC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Os<9>,1|H<1>,2|C<4>}	C[6](C[6]C[6]OsC)(C[6]C[6]H)(H){1|Os<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<7>,1|Os<9>,1|C<4>,1|H<1>}	120.0850	0.000	1	120.6690	0.682	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OsC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Os<9>,1|H<1>,2|C<4>}	C[6](C[6]C[6]OsC)(C[6]C[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Os<9>,1|C<4>,1|H<1>}	121.2530	0.000	1	120.6690	0.682	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]OsRu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Os<9>,1|Ru<9>,1|C<4>,1|H<1>}	C[6](C[6]C[6]OsRu)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|H<1>,2|C<4>}	120.7130	0.000	1	120.7130	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PdB)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]PdB)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.0020	0.006	2	119.9540	0.007	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PdB)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PdB)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<4>,2|H<1>}	119.8580	0.000	1	119.9540	0.007	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.4320	0.102	2	120.7181	0.248	13	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<4>,2|H<1>}	121.0760	0.000	1	120.7181	0.248	13	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|H<1>,2|C<4>}	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<4>,2|H<1>}	120.8352	0.715	5	120.7181	0.248	13	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<6>,1|H<1>,2|C<4>}	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<6>,1|C<4>,2|H<1>}	120.6733	0.315	3	120.7181	0.248	13	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<6>,1|H<1>,2|C<4>}	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H){1|Pd<6>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<6>,1|H<1>,2|C<4>}	120.5995	0.568	2	120.7181	0.248	13	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|B<4>,1|C<4>,1|H<1>}	120.1670	0.000	1	120.1561	0.162	9	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|H<1>,2|C<4>}	120.2980	0.471	5	120.1561	0.162	9	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<6>,1|H<1>,2|C<4>}	119.9160	0.257	3	120.1561	0.162	9	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PdN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]PdN)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<4>,1|H<1>}	119.9860	0.153	2	119.9860	0.023	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pr<18>,1|H<1>,2|C<4>}	C[6](C[6]C[6]PrC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Pr<18>,1|C<4>,1|H<1>,1|H<2>}	121.6970	0.120	3	121.6970	0.014	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pr<17>,1|C<3>,2|H<1>}	C[6](C[6]C[6]PrH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	119.8230	0.000	1	118.5695	0.758	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pr<18>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]PrH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Pr<18>,1|H<1>,2|C<4>}	118.1517	0.298	3	118.5695	0.758	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PtB)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pt<6>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]PtB)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.4120	0.406	2	120.4120	0.165	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PtC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pt<5>,1|H<1>,2|C<4>}	C[6](C[6]C[6]PtC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Pt<5>,1|C<4>,2|H<1>}	121.1520	0.676	2	121.1520	0.457	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]PtH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Pt<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]PtH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Pt<5>,1|H<1>,2|C<4>}	119.7995	0.186	2	119.7995	0.035	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ReC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Re<8>,1|H<1>,2|C<4>}	C[6](C[6]C[6]ReC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Re<8>,1|H<1>,2|C<4>}	120.4533	1.112	3	120.4533	1.236	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ReH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Re<7>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ReH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Re<7>,1|C<4>,2|H<1>}	119.9470	0.675	2	119.9470	0.455	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RhB)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Rh<6>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]RhB)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Rh<6>,1|C<4>,2|H<1>}	121.0400	0.000	1	121.0400	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RhC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Rh<5>,1|H<1>,2|C<4>}	C[6](C[6]C[6]RhC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Rh<5>,1|C<4>,2|H<1>}	121.0780	0.000	1	121.1800	0.021	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RhC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Rh<6>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[6]C[6]RhC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Rh<6>,1|C<4>,2|H<1>}	121.2820	0.000	1	121.1800	0.021	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RhH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Rh<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]RhH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Rh<5>,1|H<1>,2|C<4>}	119.1370	0.000	1	119.3663	0.143	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RhH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Rh<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]RhH)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Rh<6>,1|B<4>,1|C<4>,1|H<1>}	119.1590	0.000	1	119.3663	0.143	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RhH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Rh<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]RhH)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Rh<6>,1|C<4>,1|C<5>,1|H<1>}	119.8030	0.000	1	119.3663	0.143	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ru2)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<5>,1|Ru<7>,2|C<4>}	C[6](C[6]C[6]Ru2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	121.2915	0.194	2	121.2915	0.038	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ru2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|Ru<6>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Ru2)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<6>,1|C<4>,2|H<1>}	120.7540	0.000	1	120.7540	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<10>,1|H<1>,2|C<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<10>,1|C<4>,2|H<1>}	121.0380	0.000	1	120.5332	0.556	10	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<6>,1|H<1>,2|C<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<6>,1|C<4>,2|H<1>}	120.3640	0.000	1	120.5332	0.556	10	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|H<1>,2|C<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<7>,1|H<1>,2|C<4>}	120.4000	1.110	4	120.5332	0.556	10	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|H<1>,2|C<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|C<4>,2|H<1>}	120.8940	0.000	1	120.5332	0.556	10	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<9>,1|Ru<9>,1|C<4>,1|H<1>}	120.7470	0.000	1	120.5332	0.556	10	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|H<1>,2|C<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|C<4>,2|H<1>}	119.7510	0.000	1	120.5332	0.556	10	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|H<1>,2|C<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H){1|Os<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Os<9>,1|Ru<9>,1|C<4>,1|H<1>}	120.9380	0.000	1	120.5332	0.556	10	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|H<2>,2|C<3>}	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	120.0305	0.941	2	120.0305	0.886	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<10>,1|C<4>,2|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<10>,1|H<1>,2|C<4>}	119.5100	0.000	1	120.0988	0.178	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<6>,1|H<1>,2|C<4>}	120.3280	0.000	1	120.0988	0.178	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ir<5>,1|Ru<6>,1|C<4>,1|H<1>}	120.4550	0.000	1	120.0988	0.178	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){2|Ru<6>,1|C<4>,1|H<1>}	119.7070	0.000	1	120.0988	0.178	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|C<4>,2|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<8>,1|H<1>,2|C<4>}	120.0410	0.000	1	120.0988	0.178	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|C<4>,2|H<1>}	C[6](C[6]C[6]RuH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|H<1>,2|C<4>}	120.5520	0.000	1	120.0988	0.178	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]RuS)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|C<4>,1|H<1>,1|S<3>}	C[6](C[6]C[6]RuS)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|Ru<9>,1|C<4>,1|H<1>,1|S<3>}	121.2876	0.618	8	121.2876	0.382	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]SY)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Y<13>,1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]SY)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Y<13>,1|C<4>,1|H<1>}	119.6490	0.000	1	119.6490	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ScC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Sc<11>,1|H<1>,2|C<4>}	C[6](C[6]C[6]ScC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Sc<11>,1|C<4>,1|H<1>,1|N<4>}	120.5730	0.000	1	120.5730	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ScH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Sc<13>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ScH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Sc<13>,1|C<4>,1|H<1>,1|N<4>}	119.5590	0.000	1	119.5590	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ScN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Sc<11>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]ScN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Sc<11>,1|H<1>,2|C<4>}	120.6480	0.000	1	120.7020	0.006	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ScN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Sc<13>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]ScN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Sc<13>,1|C<4>,2|H<1>}	120.7560	0.000	1	120.7020	0.006	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	118.5905	0.528	2	118.5905	0.279	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]TaC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ta<6>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]TaC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.5695	1.522	2	120.5695	2.318	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]TaN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ta<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TaN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.4740	0.258	4	120.7674	1.144	14	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]TaN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ta<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TaN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.9989	1.369	8	120.7674	1.144	14	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]TaN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ta<9>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TaN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ta<9>,1|C<4>,1|H<1>,1|N<3>}	120.4285	0.743	2	120.7674	1.144	14	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]TeU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Te<2>,1|U<13>,1|C<3>,1|H<1>}	C[6](C[6]C[6]TeU)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|U<13>,1|C<4>,1|H<1>}	120.9480	0.000	1	120.9480	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ThC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Th<17>,1|H<1>,2|C<4>}	C[6](C[6]C[6]ThC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Th<17>,1|C<4>,1|H<1>,1|H<2>}	121.2760	0.000	1	121.3247	0.004	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ThC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Th<20>,1|H<1>,2|C<4>}	C[6](C[6]C[6]ThC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Th<20>,1|C<4>,1|H<1>,1|H<2>}	121.3410	0.067	3	121.3247	0.004	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ThH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Th<17>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]ThH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Th<17>,1|H<1>,2|C<4>}	118.3380	0.000	1	118.4388	0.026	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ThH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Th<20>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]ThH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Th<20>,1|H<1>,2|C<4>}	118.4307	0.106	3	118.4388	0.026	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ThH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Th<21>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]ThH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Th<21>,1|C<4>,1|H<1>,1|N<3>}	118.5015	0.302	2	118.4388	0.026	6	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Th<17>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Th<17>,1|C<4>,1|H<1>,1|N<4>}	120.9034	0.379	7	120.2400	1.097	23	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Th<17>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Th<17>,1|C<4>,1|H<1>,1|N<3>}	119.3010	0.610	8	120.2400	1.097	23	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Th<18>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)2(H){1|Th<18>,1|C<4>,1|H<1>,1|N<4>}	120.9283	0.330	3	120.2400	1.097	23	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Th<18>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Th<18>,1|C<4>,1|H<1>,1|N<3>}	119.3900	0.742	3	120.2400	1.097	23	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Th<21>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)2(H){1|Th<21>,1|C<4>,1|H<1>,1|H<2>}	121.9170	0.051	2	120.2400	1.097	23	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]TiC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ti<11>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]TiC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.7015	0.415	2	120.7015	0.172	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H){1|Ti<10>,1|C<3>,1|N<3>,1|P<4>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<4>,2|H<1>}	121.1170	0.760	3	120.9344	0.364	5	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(H){1|Ti<8>,1|C<3>,1|N<3>,1|P<4>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<4>,2|H<1>}	120.6605	0.227	2	120.9344	0.364	5	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ti<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.0095	0.016	2	120.4381	0.161	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ti<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<3>}	120.9255	0.210	2	120.4381	0.161	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ti<11>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ti<11>,1|C<4>,1|H<1>,1|N<3>}	120.4087	0.279	4	120.4381	0.161	8	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|S<3>}	121.1205	0.223	2	121.1205	0.050	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]YbC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<15>,1|H<1>,2|C<4>}	C[6](C[6]C[6]YbC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Yb<15>,1|C<4>,2|H<1>}	120.7837	0.734	4	120.7837	0.539	4	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]YbH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<15>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]YbH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Yb<15>,1|H<1>,2|C<4>}	120.0960	0.000	1	119.7394	0.529	5	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]YbH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<15>,1|C<4>,2|H<1>}	C[6](C[6]C[6]YbH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Yb<15>,1|H<1>,2|C<4>}	119.6502	0.808	4	119.7394	0.529	5	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<10>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Yb<10>,1|C<4>,1|H<1>,1|N<3>}	120.1280	1.079	2	119.9675	0.990	11	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<12>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	118.6825	0.193	2	119.9675	0.990	11	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<12>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|S<3>}	121.0630	0.000	1	119.9675	0.990	11	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<12>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|Yb<12>,1|C<4>,1|H<1>,1|O<3>}	120.6350	0.000	1	119.9675	0.990	11	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<14>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|Yb<14>,1|C<4>,1|H<1>,1|O<3>}	120.8090	0.000	1	119.9675	0.990	11	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<15>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Yb<15>,1|C<4>,1|H<1>,1|N<3>}	119.3760	1.355	2	119.9675	0.990	11	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<16>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Yb<16>,1|C<4>,1|H<1>,1|N<3>}	120.3815	0.334	2	119.9675	0.990	11	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<12>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]YbO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Yb<12>,1|C<4>,1|H<1>,1|N<3>}	119.3190	0.000	1	119.4430	0.031	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Yb<14>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]YbO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Yb<14>,1|C<4>,1|H<1>,1|N<3>}	119.5670	0.000	1	119.4430	0.031	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Zn2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){2|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Zn2)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	119.9660	0.414	2	119.9660	0.172	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZnH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zn<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ZnH)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	119.6410	0.455	2	119.6410	0.207	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.4850	0.774	4	120.3999	0.581	29	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|H<1>,2|C<4>}	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|C<4>,1|H<1>,1|N<3>}	120.5250	0.314	2	120.3999	0.581	29	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|H<1>,2|C<4>}	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|C<4>,2|H<1>}	120.9580	0.322	2	120.3999	0.581	29	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<12>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	119.6720	1.482	2	120.3999	0.581	29	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<12>,1|H<1>,2|C<4>}	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<12>,1|C<4>,2|H<1>}	120.2330	1.418	3	120.3999	0.581	29	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|H<1>,2|C<3>}	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.3623	0.296	4	120.3999	0.581	29	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<4>,1|H<1>}	120.0960	0.509	3	120.3999	0.581	29	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<15>,1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<15>,1|C<4>,1|H<1>}	119.3670	0.000	1	120.3999	0.581	29	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<8>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.4105	0.019	2	120.3999	0.581	29	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	120.3752	0.322	4	120.3999	0.581	29	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<9>,1|H<1>,2|C<4>}	C[6](C[6]C[6]ZrC)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<9>,1|C<4>,2|H<1>}	121.6110	0.922	2	120.3999	0.581	29	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|H<1>,2|C<4>}	119.1230	0.132	2	119.3626	0.432	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<12>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<12>,1|H<1>,2|C<4>}	119.5880	0.771	3	119.3626	0.432	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<3>,2|H<1>}	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<4>,1|H<1>}	120.1200	0.000	1	119.3626	0.432	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<4>,1|H<1>,1|N<3>}	119.0020	0.000	1	119.3626	0.432	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<15>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<15>,1|C<4>,1|H<1>}	120.0540	0.000	2	119.3626	0.432	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<15>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	118.2620	0.000	1	119.3626	0.432	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<9>,1|C<4>,2|H<1>}	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<9>,1|H<1>,2|C<4>}	118.9245	0.149	2	119.3626	0.432	12	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|H<1>,2|C<4>}	119.3400	0.735	2	119.9229	0.296	19	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Zr<10>,1|C<4>,1|H<1>,1|N<3>}	120.4030	0.219	2	119.9229	0.296	19	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	119.9472	0.328	4	119.9229	0.296	19	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|H<1>}	119.7332	0.514	6	119.9229	0.296	19	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<12>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Zr<12>,1|C<4>,1|H<1>,1|N<3>}	119.9360	0.007	2	119.9229	0.296	19	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<4>,2|H<1>}	121.2260	0.000	1	119.9229	0.296	19	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	119.8815	0.200	2	119.9229	0.296	19	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<13>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	121.0180	0.035	2	120.7733	0.180	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Zr<14>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	120.2840	0.000	1	120.7733	0.180	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6]Cu)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Cu<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]Cu)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Cu<4>,1|C<4>,2|H<1>}	121.0000	0.000	1	121.0000	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6]Fe)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Fe<6>,1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6]Fe)(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Fe<6>,1|C<4>,1|H<1>}	119.6697	0.258	3	119.6697	0.066	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	121.1140	0.000	1	121.1140	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Ni<6>,1|C<4>,2|H<1>}	120.0630	0.000	1	120.0630	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<3>,1|C<4>,1|H<1>}	119.3180	0.000	1	119.3180	0.000	1	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Al<4>,1|C<4>,1|H<1>}	121.6085	0.483	2	121.2457	0.512	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Li<4>,1|C<4>,1|H<1>}	120.5200	0.000	1	121.2457	0.512	3	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]CeO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Ce<12>,1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]N[6]CeO)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,2|H<1>}	121.8410	0.000	1	121.1710	0.898	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]CeO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(H){1|Ce<13>,1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]N[6]CeO)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<4>,2|H<1>}	120.5010	0.000	1	121.1710	0.898	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<4>,1|C<4>,1|H<1>}	119.4310	0.000	1	119.4295	0.000	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Mg<5>,1|C<4>,1|H<1>}	119.4280	0.000	1	119.4295	0.000	2	120.3018	1.083	802	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|Br<1>,1|C<4>,1|H<1>}	121.9460	0.000	1	121.5220	0.368	4	120.9695	1.906	10	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|Br<1>,1|C<4>,1|H<1>}	120.7290	0.000	1	121.5220	0.368	4	120.9695	1.906	10	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.7065	0.477	2	121.5220	0.368	4	120.9695	1.906	10	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,2|H<1>}	121.3770	0.000	1	121.3770	0.000	1	120.9695	1.906	10	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	121.2515	0.202	2	121.2515	0.041	2	120.9695	1.906	10	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]Se)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Se<2>,3|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6]Se)(C[6]C[6]H)(O){1|C<4>,2|H<1>}	122.3840	0.000	1	122.3840	0.000	1	120.9695	1.906	10	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|H<1>}	118.6715	1.378	2	118.6715	1.899	2	120.9695	1.906	10	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){2|C<4>,2|H<1>}	121.0560	0.000	1	121.0560	0.000	1	120.5918	1.282	5	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]S)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(O){1|C<3>,1|C<4>,2|H<1>}	122.2350	0.000	1	122.2350	0.000	1	120.5918	1.282	5	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	119.8893	0.605	3	119.8893	0.366	3	120.5918	1.282	5	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	122.2300	0.000	1	121.8515	0.287	2	122.1067	0.339	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){3|C<4>,4|H<1>}	121.4730	0.000	1	121.8515	0.287	2	122.1067	0.339	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){3|C<4>,4|H<1>}	122.6170	0.000	1	122.6170	0.000	1	122.1067	0.339	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	121.5105	0.120	2	121.5105	0.014	2	121.5520	0.012	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<1>}	121.6350	0.000	1	121.6350	0.000	1	121.5520	0.012	3	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<3>,1|I<1>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|C<4>,1|O<1>,2|H<1>}	122.4790	0.000	1	122.4790	0.000	1	122.4790	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>}	120.5810	0.000	1	120.6850	0.022	2	120.6850	0.022	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	120.7890	0.000	1	120.6850	0.022	2	120.6850	0.022	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]CeO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ce<16>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[6]CeO)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Ce<16>,1|H<1>,1|N<4>,1|O<2>}	119.7122	0.579	8	119.7122	0.335	8	119.5767	0.303	11	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){2|Ru<9>,1|C<5>,1|H<1>}	C[6](N[6]C[6]Ru2)(C[6]C[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|Ru<9>,1|H<1>,1|N<4>}	119.5210	0.000	1	119.5210	0.000	1	119.5767	0.303	11	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](N[6]C[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<10>,1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]RuC)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<10>,1|H<1>,1|N<4>}	119.0625	0.062	2	119.0625	0.004	2	119.5767	0.303	11	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]H)(H)	C[6](P[6]C[6]Cu2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(H){2|Cu<4>,1|C<3>,1|H<1>}	C[6](P[6]C[6]Cu2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|O<2>,1|P<4>}	123.2470	0.000	1	123.2470	0.000	1	125.4662	1.756	5	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]H)(H)	C[6](P[6]C[6]N[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](P[6]C[6]N[6]2)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)2(H){1|P<4>,2|H<1>}	125.6030	0.387	2	125.6030	0.150	2	125.4662	1.756	5	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]H)(H)	C[6](P[6]C[6]RuO)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(H){1|Ru<9>,1|O<2>,2|C<4>}	C[6](P[6]C[6]RuO)(C[6]C[6]H)(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|H<1>,2|P<4>}	126.4390	0.137	2	126.4390	0.019	2	125.4662	1.756	5	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]C[6]I)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<4>}	121.8810	0.000	1	121.8810	0.000	1	121.8810	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(I)	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]C[6]I)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(I){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]I)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	122.9820	0.337	2	122.9820	0.113	2	122.9820	0.113	2	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<4>}	116.2100	0.000	1	116.2100	0.000	1	116.2100	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]O)2(H){1|C<4>,3|H<1>}	117.8090	0.000	1	117.8090	0.000	1	117.8090	0.000	1	120.9949	1.349	2053	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H)	C[6](C[6]C[6]Br)2(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br){1|Br<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]Br)(H){1|N<2>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[6]C[6]Br)2(OC){1|C<4>,1|O<2>,2|H<1>}	123.1153	0.498	3	123.1153	0.248	3	123.1153	0.248	3	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-2:	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]LaF)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(FLa)	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|F<2>}	C[6](C[6]C[6]LaF)(C[6]C[6]F)(F){1|C<3>,1|F<2>,1|N<3>}	C[6](C[6]C[6]F)2(FLa){1|La<22>,1|C<4>,1|F<1>,1|N<3>}	118.0710	0.000	1	118.0710	0.000	1	118.0710	0.000	1	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|B<4>,1|H<1>,1|N<3>,1|O<2>,1|S<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC){1|C<4>,1|S<2>,2|H<1>}	121.9590	0.095	2	121.9590	0.009	2	121.9590	0.009	2	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6,6]O)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6,6]O)(C[6]C[6]O)(H){1|O<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O){1|H<1>,1|O<2>,1|S<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC){1|O<1>,1|S<3>,2|C<4>}	121.9140	0.000	1	122.5665	0.852	2	122.5665	0.852	2	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6,6]O)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6,6]O)(C[6]C[6]O)(H){1|O<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>}	123.2190	0.000	1	122.5665	0.852	2	122.5665	0.852	2	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CN)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]H)(H){1|C<2>,2|C<4>,3|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CN){1|H<1>,2|C<4>}	120.6190	0.000	1	120.6190	0.000	1	120.6190	0.000	1	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|O<1>}	120.4800	0.000	1	120.4800	0.000	1	120.4800	0.000	1	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|O<1>}	120.9780	0.000	1	120.9780	0.000	1	120.9780	0.000	1	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NC[6a]){1|H<1>,2|C<4>}	122.1470	0.000	1	122.1470	0.000	1	121.0956	0.714	5	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NN)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NN){1|H<1>,2|C<4>}	121.2630	0.000	1	121.2630	0.000	1	121.0956	0.714	5	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NO)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NO){1|H<1>,2|C<4>}	121.0995	0.467	2	121.0995	0.218	2	121.0956	0.714	5	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NN)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H){1|Cr<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NN){1|Cr<9>,1|H<1>,2|C<4>}	119.8690	0.000	1	119.8690	0.000	1	121.0956	0.714	5	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(O){1|O<2>,4|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|C<4>,1|O<1>}	119.8940	0.000	1	119.8940	0.000	1	119.8940	0.000	1	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(NFe)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(NFe){1|C<4>,2|H<1>}	121.6850	0.174	2	121.6850	0.030	2	121.6850	0.030	2	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ru<10>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Ru)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(OC){1|Ru<10>,1|H<1>,2|C<4>}	120.5920	0.123	2	120.5920	0.015	2	120.5428	0.286	10	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]NY)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Y<14>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NY)(C[6]C[6]H)(H){1|C<3>,1|H<2>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|Y<14>,1|C<4>,1|H<1>,1|H<2>}	121.4560	0.000	1	121.4560	0.000	1	120.5428	0.286	10	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]Ni2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ni<3>,1|Ni<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Ni2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|Ni<4>,1|C<4>,2|H<1>}	120.0430	0.000	1	120.0430	0.000	1	120.5428	0.286	10	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]OO)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){2|C<4>,2|H<1>}	120.0160	0.000	1	120.0160	0.000	1	120.5428	0.286	10	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ru<7>,1|H<1>,2|C<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]H)(H){1|Ru<5>,1|C<3>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|Ru<5>,1|Ru<7>,1|C<4>,1|H<1>}	120.5250	0.000	1	120.5250	0.000	1	120.5428	0.286	10	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]TaN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ta<12>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TaN)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|Ta<12>,1|C<4>,1|H<1>,1|N<3>}	120.9035	0.077	2	120.9035	0.006	2	120.5428	0.286	10	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ti<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|C<4>,2|H<1>}	120.1985	0.829	2	120.1985	0.688	2	120.5428	0.286	10	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(N[6]C[6]C)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(NS){1|C<4>,3|H<1>}	121.0475	0.670	2	121.0475	0.448	2	121.0475	0.448	2	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:H-1:	N[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<10>,1|Ru<8>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(OC){1|Ru<10>,1|C<4>,1|H<1>,1|N<4>}	119.9710	0.000	1	119.9710	0.000	1	119.9710	0.000	1	121.0869	1.340	32	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[3,6]O)(C[6]C[6]N)(H)	C[6](C[3,6]C[3,6]O[3]O)(C[6]C[6]H)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH)	C[6](C[6]C[3,6]O)(C[6]C[6]N)(H){1|C<4>,1|O<1>,2|O<2>}	C[6](C[3,6]C[3,6]O[3]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	121.2670	0.899	2	121.2670	0.809	2	121.2670	0.809	2	122.6055	3.654	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[4x6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-3:	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH)	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H){2|C<3>,2|C<4>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	123.6450	0.000	1	123.3007	0.092	3	123.3007	0.092	3	122.6055	3.654	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[4x6]-4:C[6]-3:H-1:	C[5,6]-3:C[6]-3:C-3:	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H)	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH)	C[6](C[6]C[4x6]H)(C[6]C[5,6]C)(H){2|C<3>,2|C<4>}	C[6](C[4x6]C[5,3x6]C[6,6]2)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,3x6]C[5])(C[6]C[6]H)(CCH){1|C<3>,2|H<1>,3|C<4>}	123.1285	0.076	2	123.3007	0.092	3	123.3007	0.092	3	122.6055	3.654	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|Cr<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]H)(H){1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|Cr<9>,1|H<1>,2|C<4>}	121.9963	0.384	3	121.9963	0.148	3	121.9963	0.148	3	122.6055	3.654	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[5]-3:C[6]-3:C[6]-3:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{2|H<1>,6|C<4>}	123.6810	0.257	2	123.6810	0.066	2	123.6810	0.066	2	122.6055	3.654	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6]H)2(CC[6a]2){1|C<4>,2|H<1>}	123.2765	0.125	2	123.2765	0.016	2	122.0205	1.823	11	122.6055	3.654	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CCC){1|C<4>,2|H<1>}	120.8935	0.377	2	120.8935	0.142	2	122.0205	1.823	11	122.6055	3.654	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]2){1|C<4>,2|H<1>}	122.9250	0.525	2	122.9250	0.275	2	122.0205	1.823	11	122.6055	3.654	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(CC[6a]2){1|C<4>,2|H<1>}	123.2795	0.153	2	123.2795	0.024	2	122.0205	1.823	11	122.6055	3.654	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6]C)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<4>}	120.4920	0.366	3	120.4920	0.134	3	122.0205	1.823	11	122.6055	3.654	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:H-1:	Si[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(H)	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(H){2|C<3>,2|C<4>}	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]H)(H){4|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H){1|Si<4>,2|H<1>}	129.3080	0.000	1	129.3080	0.000	1	129.3080	0.000	1	122.6055	3.654	22	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(Br)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3){1|O<1>,3|C<4>}	125.1610	0.000	1	125.1610	0.000	1	125.1610	0.000	1	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]Br)(O)	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]Br)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	124.5810	0.000	1	124.5810	0.000	1	124.5810	0.000	1	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[3,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6,6]H)(C[6]C[6]C)(H)	C[6](C[3,6,6]C[6,6]N[3,6]C[3])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6,6]H)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<4>}	C[6](C[3,6,6]C[6,6]N[3,6]C[3])(C[6]C[6]H)(H){1|Si<4>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	121.6340	0.000	1	121.6340	0.000	1	121.6340	0.000	1	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]O)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	124.6900	0.000	1	124.6900	0.000	1	124.6900	0.000	1	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[4x6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[4x6]O)(C[6]C[6]C)(H)	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]H)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[4x6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	C[6](C[4x6]N[5a,6,6]C[3x6]C[6,6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,3|C<3>,3|C<4>}	C[6](C[6]C[3x6]O)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	121.8005	0.086	2	121.8005	0.007	2	121.8005	0.007	2	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6,6]H)(C[6]C[6]C)(H)	C[6](C[5,6,6]N[5,6,6]C[5,6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6,6]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|N<3>}	C[6](C[5,6,6]N[5,6,6]C[5,6]N[6])(C[6]C[6]H)(H){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	123.1250	0.000	1	123.1250	0.000	1	123.1250	0.000	1	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	125.4760	0.000	1	125.4760	0.000	1	125.4760	0.000	1	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	121.9520	0.000	1	121.9520	0.000	1	123.1899	0.984	27	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	122.5830	0.000	1	122.5830	0.000	1	123.1899	0.984	27	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Hf<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]H)(H){1|C<3>,1|C<5>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Hf<13>,1|H<1>,2|C<4>}	123.5274	0.261	10	123.5274	0.068	10	123.1899	0.984	27	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Ru<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|Ru<7>,1|H<1>,2|C<4>}	122.2730	0.000	1	122.2730	0.000	1	123.1899	0.984	27	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(H){1|C<3>,1|C<5>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<13>,1|H<1>,2|C<4>}	123.4735	0.360	13	123.4735	0.130	13	123.1899	0.984	27	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|O<2>,3|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>,4|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	118.8890	0.000	1	118.8890	0.000	1	123.1899	0.984	27	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>}	123.6540	0.000	1	123.6540	0.000	1	123.4636	0.725	5	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	122.5970	0.127	2	122.5970	0.016	2	123.4636	0.725	5	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>}	124.2350	0.392	2	124.2350	0.153	2	123.4636	0.725	5	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	121.0800	0.000	1	121.0800	0.000	1	121.0800	0.000	1	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	124.4430	0.000	1	124.4430	0.000	1	123.9590	0.469	2	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	123.4750	0.000	1	123.4750	0.000	1	123.9590	0.469	2	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]ScH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|Sc<13>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]ScH)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(BC[6a]3){1|Sc<13>,1|C<4>,2|H<1>}	123.2250	0.000	1	123.2250	0.000	1	122.9675	0.133	2	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:B-4:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|Ti<12>,1|C<4>,2|H<1>}	C[6](C[6]C[6]TiH)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(BC[6a]3){1|Ti<12>,1|C<4>,2|H<1>}	122.7100	0.000	1	122.7100	0.000	1	122.9675	0.133	2	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2Ta)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ta<10>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2Ta)(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	120.8235	0.463	2	120.8235	0.215	2	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]AlH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]AlH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	121.0178	0.172	4	121.0178	0.029	4	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<4>}	120.9210	0.000	1	120.9210	0.000	1	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ErN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Er<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ErN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	121.3738	0.933	4	121.3738	0.871	4	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	121.0679	0.234	11	121.0679	0.055	11	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CN[5]HH){1|C<4>,2|H<1>}	120.6235	0.418	2	120.6235	0.175	2	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Li2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	120.8105	0.019	2	120.8105	0.000	2	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]MoSi)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Mo<10>,1|Si<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]MoSi)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|Mo<10>,1|C<4>,2|H<1>}	121.5450	0.000	1	121.5450	0.000	1	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<11>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	122.1665	0.196	2	122.1665	0.038	2	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NV)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|V<8>}	C[6](C[6]C[6]NV)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	121.3520	0.205	2	121.1588	0.091	5	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NV)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<4>,1|V<9>}	C[6](C[6]C[6]NV)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>,1|V<9>}	121.0300	0.314	3	121.1588	0.091	5	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NY)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Y<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NY)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	121.6040	0.000	1	121.4500	0.047	2	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NY)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Y<11>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NY)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]H)2(CH3){1|Y<11>,1|C<4>,1|H<1>,1|P<4>}	121.2960	0.000	1	121.4500	0.047	2	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Ni2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<3>,1|Ni<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Ni2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<4>,2|H<1>}	121.9160	0.000	1	121.9160	0.000	1	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<4>,2|H<1>}	120.5930	0.000	1	120.5930	0.000	1	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<4>}	122.3590	0.000	1	122.0765	0.160	2	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	121.7940	0.000	1	122.0765	0.160	2	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<6>,1|H<1>,2|C<4>}	C[6](C[6]C[6]PdC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,1|C<4>,2|H<1>}	122.3190	0.000	1	122.3190	0.000	1	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ScN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sc<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ScN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	121.6400	0.000	1	121.6400	0.000	1	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]SiW)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|W<10>,1|C<4>,1|H<1>}	C[6](C[6]C[6]SiW)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|W<10>,1|C<4>,2|H<1>}	122.3460	0.000	1	122.3460	0.000	1	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TaO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ta<13>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TaO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|S<3>}	122.9045	0.418	2	122.9045	0.175	2	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TaO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ta<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TaO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	122.2440	0.000	1	122.2440	0.000	1	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<14>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<2>}	C[6](C[6]C[6]H)2(CH3){1|Th<14>,1|C<4>,1|H<1>,1|H<2>}	122.0340	0.000	1	121.5047	0.370	3	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<16>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ThN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	121.2400	0.566	2	121.5047	0.370	3	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<11>,1|H<1>,2|C<4>}	C[6](C[6]C[6]TiC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<2>}	C[6](C[6]C[6]H)2(CH3){1|Ti<11>,1|C<4>,1|H<1>,1|H<2>}	122.6980	0.000	1	122.6980	0.000	1	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<3>}	120.2560	0.000	1	121.5344	0.351	10	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<7>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	122.1767	0.180	3	121.5344	0.351	10	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<8>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	121.4025	0.217	4	121.5344	0.351	10	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	121.4740	0.054	2	121.5344	0.351	10	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|S<3>}	121.7920	0.000	1	121.7920	0.000	1	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]YbN)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	121.2576	0.648	8	121.2576	0.420	8	121.4022	0.418	69	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|O<1>,2|C<4>}	120.5475	0.343	2	120.5475	0.118	2	120.5475	0.118	2	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:H-1:	N[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](N[6]C[6]Ru2)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<8>,1|Ru<9>,1|C<4>,1|H<1>}	C[6](N[6]C[6]Ru2)(C[6]C[6]H)(H){1|Rh<8>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Rh<8>,1|Ru<9>,1|H<1>,1|N<4>}	120.5930	0.000	1	120.5930	0.000	1	120.5930	0.000	1	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:I-1:	C[3x6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3x6]O)(C[6]C[6]C)(I)	C[6](C[3x6]C[3x6]2C)(C[6]C[6]I)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]I)(CH3)	C[6](C[6]C[3x6]O)(C[6]C[6]C)(I){1|O<1>,3|C<4>}	C[6](C[3x6]C[3x6]2C)(C[6]C[6]I)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3x6]O)(C[6]C[6]I)(CH3){1|H<1>,1|O<1>,2|C<4>}	124.6320	0.000	1	124.6320	0.000	1	124.6320	0.000	1	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:I-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(I)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]I)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]I)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(I){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]I)(O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]I)(CH3){1|H<1>,1|O<1>,2|C<4>}	123.8490	0.899	2	123.8490	0.809	2	123.8490	0.809	2	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]O)(H){1|C<2>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH){2|C<4>,2|H<1>}	118.4620	0.000	1	118.4620	0.000	1	118.4620	0.000	1	122.1147	1.757	121	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:4:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6,6]C[6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H)	C[6](C[6]C[6,6]C[6])(C[6]C[5,6]H)(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[5,6]C[5,6]C[6,6]C[5])(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6,6a]2H)(C[6]C[6]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	118.0500	0.000	1	118.0500	0.000	1	118.0500	0.000	1	122.4633	15.025	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:4:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	124.0240	0.000	1	124.6700	0.835	2	124.6700	0.835	2	122.4633	15.025	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	3:4:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6a]-3:C[6]-4:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	125.3160	0.000	1	124.6700	0.835	2	124.6700	0.835	2	122.4633	15.025	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:2:3:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[4]-4:O[6]-2:C[6]-3:	C[6](C[6]C[4]O[6])(C[6]C[3x6]O)(H)	C[6](C[3x6]C[4,6,6]C[3x6]O)(C[6]C[6]H)(O)	C[6](C[4]C[4]2H)(O[6]C[3x6])(C[6]C[6]H)	C[6](C[6]C[4]O[6])(C[6]C[3x6]O)(H){1|H<1>,1|O<2>,4|C<4>}	C[6](C[3x6]C[4,6,6]C[3x6]O)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[6](C[4]C[4]2H)(O[6]C[3x6])(C[6]C[6]H){1|O<1>,3|H<1>,5|C<4>}	121.6770	0.000	1	121.6770	0.000	1	121.6770	0.000	1	121.6770	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[5,6,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	C[6](C[6]C[5,6,6]Br)(C[6]C[5,6]O)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6,6]C[5,6]O[5,6]C[6])(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	119.7250	0.000	1	119.7250	0.000	1	119.7250	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br)	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(O)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,5,6]O[5,6]H)(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<4>}	119.9170	0.000	1	119.9170	0.000	1	118.9280	1.956	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br)	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(O)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(Br){1|H<1>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,6,6]O[5,6]H)(C[6]C[6]Br)(O){1|Br<1>,1|H<1>,3|C<4>}	117.9390	0.000	1	117.9390	0.000	1	118.9280	1.956	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(Br)	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]Br)(O)	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(Br){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[3,5,6]O[5]C)(C[6]C[6]Br)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]Br)(O){1|C<4>,2|C<3>,2|H<1>}	121.9090	0.000	1	121.9090	0.000	1	121.9090	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:Br-1:	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br)	C[6](C[6]C[5,6]Br)(C[6]C[5,6]O)(Br){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]Br)(O){1|Br<1>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]Br)(Br){1|C<3>,1|O<1>,2|C<4>}	121.5590	0.000	1	121.5590	0.000	1	121.5590	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]Br)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]Br)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(Br){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]Br)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]Br)(O){2|C<4>,2|H<1>}	123.6900	0.156	2	123.6900	0.024	2	123.6900	0.024	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:Cl-1:	C[3x6]-4:C[6]-3:O-1:	C[3x6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]H)(C[6]C[3x6]O)(Cl)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]Cl)(O)	C[6](C[3x6]C[4x6]O[6]2)(C[6]C[6]Cl)(H)	C[6](C[6]C[3x6]H)(C[6]C[3x6]O)(Cl){1|H<1>,2|C<4>,2|O<2>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]Cl)(O){1|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[3x6]C[4x6]O[6]2)(C[6]C[6]Cl)(H){1|Cl<1>,1|O<1>,4|C<4>}	122.7320	0.000	1	122.7320	0.000	1	122.7320	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3,5,6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3,5,6,6]O)(C[6]C[6]H)(H)	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(O)	C[6](C[6]C[3,5,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3,5,6,6]O)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[3,5,6,6]C[3,5,6,6]C[3,6,6]C[5,6])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3,5,6,6]HH)(C[6]C[6]H)(H){1|O<1>,3|C<4>}	122.7410	0.000	1	122.7410	0.000	1	122.7410	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6,6]H)(C[6]C[6]O)(H)	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[3,6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<4>}	C[6](C[3,6,6]C[3,6,6]C[6,6]C[3])(C[6]C[6]H)(H){1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	121.6510	0.000	1	121.6510	0.000	1	122.3160	0.832	3	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6,6]H)(C[6]C[6]O)(H)	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[3,6,6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[3,6,6]C[3,6]2C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.6485	1.001	2	122.6485	1.001	2	122.3160	0.832	3	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]H)(C[6]C[6]O)(H)	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[3,6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[3,6]C[3,6,6]C[3,6]H)(C[6]C[6]H)(H){1|O<1>,4|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	121.2140	0.000	1	121.2140	0.000	1	121.2140	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6,6]O)(H)	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]H)(C[6]C[6,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[3x6]C[6]O[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(O){2|H<1>,5|C<4>}	120.5840	0.000	1	120.5840	0.000	1	120.5840	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]CF)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|F<1>,1|H<1>,3|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]CF)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	120.9300	0.000	1	120.9300	0.000	1	121.2946	1.389	7	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	118.9740	0.000	1	118.9740	0.000	1	121.2946	1.389	7	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[3x6]C[6,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|O<2>}	122.0180	0.103	2	122.0180	0.011	2	121.2946	1.389	7	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.2120	0.000	1	121.5050	1.000	2	121.2946	1.389	7	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]H)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	120.7980	0.000	1	121.5050	1.000	2	121.2946	1.389	7	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H)	C[6](C[3x6]C[6,6a]C[6,6]N[6,6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[3x6]C[6,6a]C[6,6]N[6,6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	122.1120	0.000	1	122.1120	0.000	1	121.2946	1.389	7	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,3x6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,3x6]H)(C[6]C[5,6]O)(H)	C[6](C[5,3x6]C[5,3x6]C[5,6]N[5,6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,3x6]H)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,3x6]C[5,3x6]C[5,6]N[5,6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,5|C<4>}	C[6](C[5,6]C[5,3x6]C[5]H)(C[6]C[6]H)(O){3|H<1>,4|C<4>}	121.7690	0.000	1	121.7690	0.000	1	121.7690	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,3x6]H)(C[6]C[6]O)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[5,3x6]H)(C[6]C[6]O)(H){5|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[3x6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.7720	0.000	1	122.7720	0.000	1	122.3155	0.417	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,3x6]H)(C[6]C[6]O)(H)	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,3x6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[5,3x6]C[3x6]C[5,6]2)(C[6]C[6]H)(H){1|O<1>,4|C<4>,5|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	121.8590	0.000	1	121.8590	0.000	1	122.3155	0.417	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.0810	0.000	1	122.7130	0.344	4	122.7130	0.344	4	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	123.2115	0.036	2	122.7130	0.344	4	122.7130	0.344	4	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.3480	0.000	1	122.7130	0.344	4	122.7130	0.344	4	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H){1|O<2>,4|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){4|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	119.3450	0.000	1	119.3450	0.000	1	119.2120	0.020	3	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	119.2280	0.000	1	119.1455	0.014	2	119.2120	0.020	3	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]H)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,5,6]C[5,5]O[5,6]C[5])(C[6]C[6]H)(O){1|O<2>,3|C<4>,4|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>}	119.0630	0.000	1	119.1455	0.014	2	119.2120	0.020	3	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,5,6]O)(C[6]C[6]H)(H)	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6]O)(C[6]C[6]H)(H){5|C<4>}	C[6](C[5,5,6]C[5,5,6]C[5,6]C[5])(C[6]C[6]H)(O){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	123.1630	0.000	1	123.1630	0.000	1	123.1630	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[5,6,6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]Br)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[5,6,6]O)(H){1|Br<1>,1|H<1>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]Br)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]H)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	121.0770	0.000	1	121.0770	0.000	1	121.0770	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,5,6,6]Cl2)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){2|Cl<1>,1|C<3>,2|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,6,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5,5,6,6]Cl2)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	123.5960	0.000	1	123.5960	0.000	1	122.5216	0.558	5	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6,6]C[5]O[6])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6,6]HH)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>}	122.2200	0.000	1	122.2200	0.000	1	122.5216	0.558	5	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.9870	0.000	1	122.9870	0.000	1	122.5216	0.558	5	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	121.8690	0.000	1	121.8690	0.000	1	122.5216	0.558	5	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6,6]C[6,6a]C[5,6]2)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	121.9360	0.000	1	121.9360	0.000	1	122.5216	0.558	5	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[3,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]O)(C[6]C[3,6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O)	C[6](C[3,6]C[5,6,6]C[3]O[3])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[3,6]H)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[3,6]C[5,6,6]C[3]O[3])(C[6]C[6]H)(H){1|O<1>,2|C<4>,3|H<1>}	122.3800	0.000	1	122.3800	0.000	1	122.3800	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[4,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]O)(C[6]C[4,6]H)(H)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O)	C[6](C[4,6]C[5,6,6]C[4]O[4])(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[4,6]H)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[4,6]C[5,6,6]C[4]O[4])(C[6]C[6]H)(H){1|O<1>,3|C<4>,3|H<1>}	120.3440	0.000	1	120.3440	0.000	1	120.3440	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]H)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	122.2430	0.000	1	122.2430	0.000	1	121.0885	2.666	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[6]H)(O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[6,6a]C[5,6]O[5,6])(C[6]C[6]H)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	119.9340	0.000	1	119.9340	0.000	1	121.0885	2.666	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:Br-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]Br)(H)	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(Br)	C[6](C[6]C[5,6,6]O)(C[6]C[6,6]Br)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[5,6]O)(C[6]C[6]H)(O){1|Br<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6]H)(Br){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	119.8980	0.351	2	119.8980	0.123	2	119.8980	0.123	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(H)	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(H){5|C<4>}	C[6](C[5,6,6]C[5,4x6]C[5,6]C[6])(C[6]C[6]H)(O){1|C<3>,2|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	123.7720	0.000	1	123.7720	0.000	1	123.7720	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[3,5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(O)	C[6](C[6]C[3,6]O)(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,6]C[3,5,6]C[6a]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<3>,3|C<4>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,2|H<1>}	122.7960	0.000	1	122.7960	0.000	1	122.7960	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5,6]C[5]N)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<2>,2|H<1>}	122.6900	0.000	1	122.6900	0.000	1	120.3445	5.325	8	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]N[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	122.8700	0.000	1	122.8700	0.000	1	120.3445	5.325	8	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){5|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	120.1345	0.204	2	120.1345	0.042	2	120.3445	5.325	8	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	121.7200	0.000	1	121.7200	0.000	1	120.3445	5.325	8	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	115.5820	0.000	1	115.5820	0.000	1	120.3445	5.325	8	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|C<2>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]O[5,6]C[5]N)(C[6]C[6]H)(O){2|C<4>,3|H<1>}	119.8125	0.360	2	119.8125	0.130	2	120.3445	5.325	8	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[5,6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){5|C<4>}	C[6](C[5,6]C[5,6,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6]C[3,6,6]C[5,6,6]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	126.7100	0.361	2	126.7100	0.130	2	123.7109	4.563	7	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6,6]C[5,6,6]C[6]O)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	121.5270	0.000	1	121.5270	0.000	1	123.7109	4.563	7	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6,6]O[5]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[5,6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	123.4100	0.000	1	123.4100	0.000	1	123.7109	4.563	7	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	122.5397	0.377	3	122.5397	0.142	3	123.7109	4.563	7	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]2Nd)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]NdH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Nd<19>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Nd)(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]NdH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	120.1460	0.000	1	120.1460	0.000	1	122.1340	7.904	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	124.1220	0.000	1	124.1220	0.000	1	122.1340	7.904	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.0630	0.000	1	123.0630	0.000	1	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	122.1710	0.000	1	121.9318	0.125	4	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	121.6140	0.000	1	121.9318	0.125	4	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	121.9710	0.462	2	121.9318	0.125	4	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[6a]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	121.3640	0.000	1	121.3640	0.000	1	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	122.3438	0.411	4	122.3126	0.132	5	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[6a]N[5])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,2|C<4>,3|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.1880	0.000	1	122.3126	0.132	5	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	123.0430	0.000	1	122.1980	0.234	7	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|S<4>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	121.6400	0.000	1	122.1980	0.234	7	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|S<4>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.1406	0.300	5	122.1980	0.234	7	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]BrH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]BrH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	122.3670	0.805	2	122.3670	0.648	2	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	122.0726	0.587	5	122.0726	0.345	5	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	122.2084	0.365	5	122.2969	0.276	17	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.6460	0.703	5	122.2969	0.276	17	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	122.7100	0.000	1	122.2969	0.276	17	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	122.3045	0.279	2	122.2969	0.276	17	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	121.8642	0.291	4	122.2969	0.276	17	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	121.7100	0.000	1	121.7100	0.000	1	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	121.8370	0.000	1	121.8370	0.000	1	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(H){1|C<3>,1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	122.5780	0.000	1	122.5780	0.000	1	122.2083	0.258	45	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5,6]O[5]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<4>}	122.8000	0.000	1	122.8000	0.000	1	122.8000	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(H)	C[6](C[5,6]C[5,6,6]C[5,6a]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(H){1|C<3>,2|C<4>,2|O<2>}	C[6](C[5,6]C[5,6,6]C[5,6a]C)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6,6]C[5,6,6]O[6]O)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	123.2770	0.000	1	123.2770	0.000	1	123.2770	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	121.8550	0.000	1	121.8550	0.000	1	121.8550	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|H<1>,4|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C)(C[6]C[6]H)(O){3|H<1>,4|C<4>}	C[6](C[6]C[5,5,6]CH)(C[6]C[6]H)(H){1|O<1>,3|C<4>}	122.1250	0.197	2	122.1250	0.039	2	122.1250	0.039	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[4,6]-4:C[6]-3:O-1:	C[6](C[6]C[4,6]O)(C[6]C[6,6]H)(H)	C[6](C[6,6]C[4,6,6]N[6]C)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]H)(O)	C[6](C[6]C[4,6]O)(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<4>}	C[6](C[6,6]C[4,6,6]N[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|S<4>,2|C<4>}	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,4|H<1>}	123.6270	0.000	1	123.6270	0.000	1	123.6270	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[5,6]C[6,6]O)(C[6]C[6]H)(H){1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){2|C<4>,2|O<2>,3|H<1>}	120.7920	0.000	1	120.7920	0.000	1	120.5767	9.505	6	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	114.4530	0.000	1	119.3927	18.305	3	120.5767	9.505	6	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|C<4>,4|H<1>}	121.8625	0.100	2	119.3927	18.305	3	120.5767	9.505	6	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(H){2|N<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]N)(C[6]C[6]H)(O){1|N<3>,2|C<4>,4|H<1>}	122.2450	1.048	2	122.2450	1.098	2	120.5767	9.505	6	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.6815	0.952	2	122.6815	0.907	2	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	C[6](C[6,6]C[5,6]C[6,6]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.7800	0.184	3	122.7800	0.034	3	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	119.2433	0.450	3	121.8939	2.568	22	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	124.4080	0.000	1	121.8939	2.568	22	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	124.1930	0.000	1	121.8939	2.568	22	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.0105	0.033	2	121.8939	2.568	22	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){5|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.0876	1.203	15	121.8939	2.568	22	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.1690	0.000	1	123.1690	0.000	1	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	121.5040	0.133	2	121.5040	0.018	2	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.0970	0.008	2	123.0970	0.000	2	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]OO)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]OO)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.2100	0.000	1	123.2100	0.000	1	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.5040	0.000	1	122.5040	0.000	1	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.2020	0.211	3	122.2310	0.033	4	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	122.3180	0.000	1	122.2310	0.033	4	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	121.6100	0.344	2	121.7176	0.374	5	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	121.7893	0.818	3	121.7176	0.374	5	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6a]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6,6]C[6,6]C[6a]N[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	123.1690	0.000	1	123.1690	0.000	1	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6]C[6a]O[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	121.5290	0.000	1	121.5290	0.000	1	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6,6]C[6,6]N[6]O)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	122.1180	0.000	1	122.1180	0.000	1	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	121.6455	0.474	4	121.8024	0.153	7	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	122.0870	0.000	1	121.8024	0.153	7	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	121.9740	0.086	2	121.8024	0.153	7	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	120.9010	0.252	2	120.9010	0.063	2	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]SeH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|Se<2>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]SeH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	122.4890	0.000	1	122.4890	0.000	1	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.5240	0.000	1	122.5240	0.000	1	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.1280	0.074	3	122.1280	0.005	3	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	123.0260	0.546	2	122.5907	0.536	4	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	122.1555	0.743	2	122.5907	0.536	4	122.0931	1.181	64	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6,6]HH)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>}	119.7750	1.126	2	119.7750	1.267	2	121.8974	2.538	10	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[3,6,6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[3,6,6]C[6,6]C)(C[6]C[6]H)(O){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[3,6,6]HO)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>}	122.3480	0.000	1	122.3480	0.000	1	121.8974	2.538	10	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.6740	0.000	1	123.6740	0.000	1	121.8974	2.538	10	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	C[6](C[6,6]C[4x6]C[6]2)(C[6]C[6]H)(O){1|O<2>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	123.5680	0.000	1	123.5680	0.000	1	121.8974	2.538	10	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O){1|C<3>,1|O<2>,3|C<4>,5|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.5390	0.000	1	122.9560	0.680	2	121.8974	2.538	10	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]H)(O){1|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	122.3730	0.000	1	122.9560	0.680	2	121.8974	2.538	10	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	120.4950	0.000	1	120.4950	0.000	1	121.8974	2.538	10	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	120.8590	0.000	1	120.8590	0.000	1	121.8974	2.538	10	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	122.5680	0.000	1	122.5680	0.000	1	121.8974	2.538	10	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(Br){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|Br<1>,1|C<4>,2|H<1>}	121.8720	0.000	2	121.8720	0.000	2	121.8720	0.000	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|N<3>,2|C<4>,4|H<1>}	121.7205	0.711	2	121.7205	0.505	2	121.7205	0.505	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){5|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(O){3|H<1>,4|C<4>}	124.2060	0.000	1	124.2060	0.000	1	122.0178	2.345	5	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]CO)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){1|O<2>,4|C<4>}	C[6](C[6]C[6,6]CO)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){3|C<4>,4|H<1>}	123.0350	0.000	1	123.0350	0.000	1	122.0178	2.345	5	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,3|H<1>}	120.9493	0.255	3	120.9493	0.065	3	122.0178	2.345	5	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6]Dy)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6]Dy)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Dy<11>,1|C<3>,2|C<4>}	C[6](C[6]C[5]C[6]Dy)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[5]C[6]Dy)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,1|O<2>}	120.7500	0.000	1	120.7500	0.000	1	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2Pr)(C[6]C[6]H)(H)	C[6](C[6]C[6]PrH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Pr<17>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2Pr)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|H<2>,2|C<4>}	C[6](C[6]C[6]PrH)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|H<2>}	120.5190	0.000	1	120.5190	0.000	1	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CU)(C[6]C[6]H)(H)	C[6](C[6]C[6]CU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|U<22>,3|C<4>}	C[6](C[6]C[6]CU)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]CU)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|H<2>}	122.1125	0.928	2	122.1125	0.862	2	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]CrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]CrC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Cr<5>,3|C<4>}	C[6](C[6]C[6]CrC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CrC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.8730	0.089	2	119.8730	0.008	2	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){2|Dy<15>,1|C<5>,2|O<3>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(H){1|Dy<15>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(H){1|Dy<15>,1|C<4>,1|H<1>,1|O<3>}	121.8180	0.000	1	121.8180	0.000	1	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6]La)(C[6]C[6]H)(H)	C[6](C[6]N[6]LaH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|La<16>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]La)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]LaH)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	119.1260	0.395	2	119.1260	0.156	2	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6]Th)(C[6]C[6]H)(H)	C[6](C[6]N[6]ThH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Th<16>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]Th)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]ThH)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	119.9005	0.961	2	119.5339	0.558	7	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6]Th)(C[6]C[6]H)(H)	C[6](C[6]N[6]ThH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Th<17>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]Th)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]ThH)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	120.0720	0.000	1	119.5339	0.558	7	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6]Th)(C[6]C[6]H)(H)	C[6](C[6]N[6]ThH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Th<18>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]Th)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]ThH)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	119.0340	0.025	2	119.5339	0.558	7	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6]Th)(C[6]C[6]H)(H)	C[6](C[6]N[6]ThH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Th<21>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]Th)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]ThH)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	119.3980	1.153	2	119.5339	0.558	7	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6]Tm)(C[6]C[6]H)(H)	C[6](C[6]N[6]TmH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Tm<16>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]Tm)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]TmH)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	120.1590	1.018	2	119.4605	0.543	6	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6]Tm)(C[6]C[6]H)(H)	C[6](C[6]N[6]TmH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Tm<17>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]Tm)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]N[6]TmH)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	119.1112	0.268	4	119.4605	0.543	6	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]NiC)(C[6]C[6]H)(H)	C[6](C[6]C[6]NiC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ni<5>,3|C<4>}	C[6](C[6]C[6]NiC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]NiC)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.4370	0.000	1	120.4370	0.000	1	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6]Ta)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]Ta)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ta<7>,3|C<3>}	C[6](C[6]C[6a]C[6]Ta)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]Ta)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	120.9220	0.000	1	120.9220	0.000	1	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]CU)(C[6]C[6]H)(H)	C[6](C[6]N[6]CU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|U<13>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]N[6]CU)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]CU)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	118.1480	0.000	1	120.6907	10.404	3	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]CU)(C[6]C[6]H)(H)	C[6](C[6]N[6]CU)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|U<14>,1|N<3>,2|C<4>}	C[6](C[6]N[6]CU)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]CU)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	121.9620	3.333	2	120.6907	10.404	3	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]CeC)(C[6]C[6]H)(H)	C[6](C[6]N[6]CeC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ce<21>,1|N<3>,2|C<4>}	C[6](C[6]N[6]CeC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]CeC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	119.7870	0.487	11	119.7870	0.237	11	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]CeH)(C[6]C[6]H)(H)	C[6](C[6]N[6]CeN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ce<20>,1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]N[6]CeH)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]CeN)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	120.9030	0.124	2	120.9030	0.015	2	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]DyC)(C[6]C[6]H)(H)	C[6](C[6]N[6]DyC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Dy<15>,1|N<3>,2|C<4>}	C[6](C[6]N[6]DyC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]DyC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	115.9110	0.000	1	118.8310	3.893	4	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]DyC)(C[6]C[6]H)(H)	C[6](C[6]N[6]DyC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Dy<17>,1|N<3>,2|C<5>}	C[6](C[6]N[6]DyC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]DyC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	119.3510	0.000	1	118.8310	3.893	4	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]DyC)(C[6]C[6]H)(H)	C[6](C[6]N[6]DyC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Dy<21>,1|N<3>,2|C<4>}	C[6](C[6]N[6]DyC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]DyC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	120.0310	0.033	2	118.8310	3.893	4	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]GdC)(C[6]C[6]H)(H)	C[6](C[6]N[6]GdC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Gd<17>,1|N<3>,2|C<5>}	C[6](C[6]N[6]GdC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]GdC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	119.7935	0.351	2	119.7935	0.124	2	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|H<1>,2|C<4>}	122.4460	0.000	1	122.4460	0.000	1	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]TaC)(C[6]C[6]H)(H)	C[6](C[6]N[6]TaC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ta<14>,1|N<3>,2|C<4>}	C[6](C[6]N[6]TaC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]TaC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	120.4090	0.000	1	120.3665	0.004	2	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]TaC)(C[6]C[6]H)(H)	C[6](C[6]N[6]TaC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Ta<14>,1|N<3>,2|C<5>}	C[6](C[6]N[6]TaC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]TaC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	120.3240	0.000	1	120.3665	0.004	2	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]ThC)(C[6]C[6]H)(H)	C[6](C[6]N[6]ThC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Th<21>,1|N<3>,2|C<4>}	C[6](C[6]N[6]ThC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	C[6](C[6]N[6]ThC)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	119.3393	0.322	3	119.3393	0.104	3	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]N[6]YbN)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){2|Yb<12>,3|N<3>}	C[6](C[6]N[6]YbN)(C[6]C[6]H)(H){1|Yb<12>,1|C<4>,1|H<1>}	C[6](C[6]N[6]YbN)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	122.0170	0.000	1	122.0170	0.000	1	119.9968	1.576	53	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	120.6620	0.000	1	120.6620	0.000	1	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){5|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.7157	1.006	3	122.7157	1.011	3	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	121.9770	0.000	1	121.9770	0.000	1	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	121.7380	0.000	1	121.7380	0.000	1	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	121.9165	1.742	2	121.9165	3.033	2	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	120.4070	0.779	2	120.4070	0.607	2	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]SiH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Si<4>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]SiH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	123.1320	0.000	1	123.1320	0.000	1	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.1670	0.000	1	122.1670	0.000	1	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HN)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]HN)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	122.0890	0.000	1	122.0890	0.000	1	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.4110	0.000	1	122.4110	0.000	1	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	121.7697	0.447	3	121.7697	0.200	3	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	121.0820	0.000	1	121.0820	0.000	1	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,3|H<1>}	122.0120	0.000	1	122.0120	0.000	1	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	121.6730	0.238	2	121.6730	0.056	2	121.8438	0.840	21	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|Cl<1>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(Cl){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.7750	0.966	2	121.7750	0.933	2	121.7750	0.933	2	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){5|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	122.0480	0.000	1	122.0480	0.000	1	122.7161	0.861	12	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2C)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	123.0780	0.000	1	123.0780	0.000	1	122.7161	0.861	12	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,4|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|O<1>,2|H<1>}	123.1600	0.426	5	123.1600	0.182	5	122.7161	0.861	12	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CS)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|S<2>,3|C<4>}	C[6](C[6]C[6]CS)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,2|O<1>}	123.9750	0.000	1	123.9750	0.000	1	122.7161	0.861	12	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(O){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	122.8530	0.000	1	122.8530	0.000	1	122.7161	0.861	12	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>}	121.4450	0.000	1	121.4450	0.000	1	122.7161	0.861	12	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O)	C[6](C[6]N[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]N[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<1>,1|S<4>}	122.6670	0.000	1	122.6670	0.000	1	122.7161	0.861	12	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]O[6]CH)(C[6]C[6]H)(O)	C[6](C[6]O[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>}	C[6](C[6]O[6]HO)(C[6]C[6]H)(H){1|C<4>,1|O<1>}	120.7270	0.000	1	120.7270	0.000	1	122.7161	0.861	12	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:I-1:	C[6](C[6]C[6]I)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(H){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|I<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(I){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	121.8180	0.000	1	121.8180	0.000	1	121.8180	0.000	1	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]CF)(C[6]C[6]H)(O)	C[6](C[6]C[6]CF)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<4>,2|C<3>,2|F<1>}	C[6](C[6]C[6]CF)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CF)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	124.6050	0.000	1	124.6050	0.000	1	123.5122	0.672	4	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<1>,2|H<1>}	123.6790	0.000	1	123.1480	0.213	3	123.5122	0.672	4	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<1>,2|C<4>}	122.8825	0.046	2	123.1480	0.213	3	123.5122	0.672	4	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(I)	C[6](C[6]C[6]2H)(C[6]C[6]I)(O)	C[6](C[6]C[6]HO)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(I){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]I)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]I)(H){1|H<1>,1|O<1>,2|C<4>}	122.5180	0.604	4	122.5180	0.365	4	122.5180	0.365	4	121.6573	2.375	300	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[4,6]O)(C[6]C[6]O)(H)	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]H)(O)	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[4,6]O)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]H)(O){1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(OC){1|O<1>,3|C<4>}	121.3060	0.163	2	121.3060	0.026	2	121.3060	0.026	2	121.7463	1.394	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[4,6]-4:C[6]-3:N-2:	C[6](C[6]C[4,6]N)(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(H)	C[6](C[4,6]C[4]2O[6])(C[6]C[6]H)(NN)	C[6](C[6]C[4,6]N)(C[6]C[5,6]H)(H){2|O<2>,3|C<4>}	C[6](C[5,6]C[5]O[5]O[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,3|C<4>}	C[6](C[4,6]C[4]2O[6])(C[6]C[6]H)(NN){2|C<4>,5|H<1>}	120.5495	0.688	2	120.5495	0.473	2	120.5495	0.473	2	121.7463	1.394	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NO)	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,1|O<1>,1|S<2>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NO){1|C<4>,1|S<2>,2|H<1>}	122.9630	0.000	1	122.9630	0.000	1	122.9630	0.000	1	121.7463	1.394	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O){2|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<4>}	121.0870	0.000	1	121.0870	0.000	1	121.6445	0.622	2	121.7463	1.394	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.2020	0.000	1	122.2020	0.000	1	121.6445	0.622	2	121.7463	1.394	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(NN)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(H){1|N<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	122.2740	0.000	1	122.2740	0.000	1	122.2740	0.000	1	121.7463	1.394	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]O)2(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){2|O<1>,4|C<4>}	120.8780	0.000	1	120.8780	0.000	1	120.8780	0.000	1	121.7463	1.394	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>}	121.1630	2.683	2	121.1630	7.197	2	121.3950	3.760	3	121.7463	1.394	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>}	121.8590	0.000	1	121.8590	0.000	1	121.3950	3.760	3	121.7463	1.394	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(ORu)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(ORu){1|C<4>,3|H<1>}	121.3900	0.000	1	121.3900	0.000	1	121.3900	0.000	1	121.7463	1.394	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[6]CC)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(OC){1|C<4>,2|O<1>}	123.0833	0.556	3	123.0833	0.309	3	123.0833	0.309	3	121.7463	1.394	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[4,4,3x6]-4:C[6]-3:H-1:	C[3,4,4,6]-4:C[6]-3:C-3:	C[6](C[6]C[3,4,4,6]C)(C[6]C[4,4,3x6]H)(H)	C[6](C[4,4,3x6]C[4,4,3x6]C[3x4,6]2)(C[6]C[6]H)(H)	C[6](C[3,4,4,6]C[4,4,3x6]H[3,3,4]2)(C[6]C[6]H)(CC[5]C)	C[6](C[6]C[3,4,4,6]C)(C[6]C[4,4,3x6]H)(H){1|C<3>,2|C<4>,2|H<3>}	C[6](C[4,4,3x6]C[4,4,3x6]C[3x4,6]2)(C[6]C[6]H)(H){1|H<1>,1|H<2>,2|C<4>,3|C<3>}	C[6](C[3,4,4,6]C[4,4,3x6]H[3,3,4]2)(C[6]C[6]H)(CC[5]C){1|C<4>,1|H<1>,2|C<3>}	126.6470	0.000	1	126.6470	0.000	1	126.6470	0.000	1	122.7565	5.362	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6](C[6]C[3x6]C[6])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[6]C[3x6]C[6])(C[6]C[5,6]H)(H){1|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>,4|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[5,6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	121.9080	0.000	1	121.9080	0.000	1	121.9080	0.000	1	122.7565	5.362	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(O)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]H)(CCH){1|O<1>,4|C<4>}	119.5980	0.000	1	119.5980	0.000	1	119.5980	0.000	1	122.7565	5.362	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(H){1|H<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]H)(COO){1|O<1>,3|C<4>,3|H<1>}	122.9000	0.000	1	122.9000	0.000	1	122.9000	0.000	1	122.7565	5.362	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHH){1|C<4>,3|H<1>}	123.4340	0.000	1	123.4340	0.000	1	122.7430	0.955	2	122.7565	5.362	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CCH){1|C<4>,1|O<2>,2|H<1>}	122.0520	0.000	1	122.0520	0.000	1	122.7430	0.955	2	122.7565	5.362	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H){2|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O){2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	122.1340	0.000	1	122.1340	0.000	1	123.4260	3.339	2	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H)	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CHHO)	C[6](C[6]C[3,5,6]O)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3,5,6]C[3,5]C[5,6]C[3])(C[6]C[6]H)(O){1|O<2>,3|C<4>,4|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]H)(CHHO){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.7180	0.000	1	124.7180	0.000	1	123.4260	3.339	2	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-4:	C[6](C[6]C[3x6]O)(C[6]C[6,6]C)(H)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]H)(O)	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[3x6]O)(C[6]C[6,6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]H)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6,6]C[3x6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	122.7200	0.000	1	122.7200	0.000	1	122.7200	0.000	1	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:Si-4:	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]Si)(H)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SiC3)	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]Si)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]H)(O){1|Si<4>,1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(SiC3){1|C<3>,1|C<4>,1|H<1>,2|O<1>}	123.5580	0.000	1	123.5580	0.000	1	123.5580	0.000	1	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O){1|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	122.4040	0.000	1	122.8555	0.408	2	122.8555	0.408	2	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H)	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6,6]C[6,6]N[5,6]C[5])(C[6]C[6]H)(O){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	123.3070	0.000	1	122.8555	0.408	2	122.8555	0.408	2	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,2|C<4>,4|H<1>}	121.1290	0.000	1	121.1290	0.000	1	121.1290	0.000	1	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	123.3970	0.000	1	123.3970	0.000	1	123.1352	1.637	5	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	124.1950	0.000	1	124.1950	0.000	1	123.1352	1.637	5	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(O){1|C<3>,1|N<2>,3|C<4>}	C[6](C[6]C[5,6]ClH)(C[6]C[6]H)(CH3){1|N<2>,1|O<1>,2|C<4>}	123.0630	0.000	1	123.0630	0.000	1	123.1352	1.637	5	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[5,6]OO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	120.9990	0.000	1	120.9990	0.000	1	123.1352	1.637	5	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	124.0220	0.000	1	124.0220	0.000	1	123.1352	1.637	5	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	122.0427	0.619	3	122.0427	0.383	3	122.6861	0.878	7	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	124.3240	0.000	1	124.3240	0.000	1	122.6861	0.878	7	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>}	122.4760	0.000	1	122.4760	0.000	1	122.6861	0.878	7	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(O)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	122.9375	0.639	2	122.9375	0.408	2	122.6861	0.878	7	122.8657	1.128	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	5:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-5:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6]Th)(C[6]C[6]H)(H)	C[6](C[6]N[6]ThCH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Th<17>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]N[6]Th)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>,1|N<3>}	C[6](C[6]N[6]ThCH)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	121.3080	0.000	1	121.0173	1.311	3	121.0173	1.311	3	121.0173	1.311	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:1:	5:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6]-5:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6]Th)(C[6]C[6]H)(H)	C[6](C[6]N[6]ThCH)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H){1|Th<21>,1|C<4>,1|C<5>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]Th)(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>,1|N<3>}	C[6](C[6]N[6]ThCH)(C[6]C[6]H)(H){1|C<4>,1|H<1>}	120.8720	1.580	2	121.0173	1.311	3	121.0173	1.311	3	121.0173	1.311	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:O-2:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[4,6]O)(C[6]O[6]O)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(OC)	C[6](O[6]C[4,6])(C[6]C[6]H)(O)	C[6](C[6]C[4,6]O)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[4,6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>}	121.3860	0.000	1	121.3860	0.000	1	121.3860	0.000	1	120.7040	1.231	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]O[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6](O[6]C[6,6])(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]O[6]O)(H){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](O[6]C[6,6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	119.4240	0.000	1	119.4240	0.000	1	119.4240	0.000	1	120.7040	1.231	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(OC)	C[6](O[6]C[5,6])(C[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|C<3>}	121.3020	0.000	1	121.3020	0.000	1	121.3020	0.000	1	120.7040	1.231	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	2:3:4:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6]-2:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<2>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6])(C[6]C[6]H)(CH3){1|H<1>,1|O<2>,2|C<4>}	124.2500	0.000	1	124.2500	0.000	1	124.2500	0.000	1	124.2500	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]Ru2)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(N[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<10>,1|Ru<8>,1|C<4>}	C[6](C[6]C[6]Ru2)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(N[6]C[6])(H){1|Ru<10>,1|O<2>,2|C<4>}	118.7440	0.000	1	118.7440	0.000	1	118.7440	0.000	1	120.5632	0.849	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.7293	0.109	3	120.5900	0.086	4	120.5479	0.233	7	120.5632	0.849	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|H<1>,1|O<2>,2|C<4>}	120.1720	0.000	1	120.5900	0.086	4	120.5479	0.233	7	120.5632	0.849	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.8435	0.616	2	120.8435	0.379	2	120.5479	0.233	7	120.5632	0.849	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	119.7880	0.000	1	119.7880	0.000	1	120.5479	0.233	7	120.5632	0.849	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	Ge-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](GeC[6a]2Pt)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H){1|C<3>}	C[6](GeC[6a]2Pt)(C[6]C[6]H)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|Ge<4>,1|C<2>,1|H<1>}	122.2620	0.000	1	122.2620	0.000	1	122.2620	0.000	1	120.5632	0.849	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:2:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]IrC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>}	C[6](PC[6a]IrC)(C[6]C[6]H)(C[6]C[6]){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<2>,1|H<1>,1|P<4>}	120.7910	0.000	1	120.7910	0.000	1	120.7910	0.000	1	120.5632	0.849	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[5]O[6])(C[6]O[6]C)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	C[6](C[6]C[5]O[6])(C[6]O[6]C)(H){1|Fe<10>,1|B<4>,2|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|F<1>}	119.9170	0.000	1	119.9170	0.000	1	120.4140	0.494	2	120.4140	0.494	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[5]O[6])(C[6]O[6]C)(H)	C[6](C[5]C[5]P[5]Fe)(C[6]C[6]H)(O[6]B[6])	C[6](C[6]C[6]H)(O[6]B[6])(CH3)	C[6](C[6]C[5]O[6])(C[6]O[6]C)(H){1|Fe<10>,1|B<4>,1|C<4>,1|P<3>}	C[6](C[5]C[5]P[5]Fe)(C[6]C[6]H)(O[6]B[6]){1|C<3>,1|O<2>,2|F<1>,3|C<4>}	C[6](C[6]C[6]H)(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|F<1>}	120.9110	0.000	1	120.9110	0.000	1	120.4140	0.494	2	120.4140	0.494	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	As-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](AsC[6]2Pd)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](AsC[6]2Pd)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|As<4>,1|C<2>,1|H<1>}	120.5700	0.000	1	120.5700	0.000	1	120.1120	0.485	3	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	As-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](AsC[6a]MoO)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](AsC[6a]MoO)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|As<4>,1|C<2>,1|H<1>}	119.8830	0.809	2	119.8830	0.654	2	120.1120	0.485	3	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[3,5,6]O)(C[6]C[6]O)(H)	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O)	C[6](C[6]C[3,5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[3,5,6]C[3,5]C[5,6]O[3])(C[6]C[6]H)(OC){1|C<3>,1|O<1>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(O){1|O<2>,2|C<4>}	121.4100	0.000	1	121.4100	0.000	1	121.4100	0.000	1	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]N)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(NS)	C[6](C[6]C[3,6]N)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]N)(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(NS){2|H<1>,3|C<3>}	C[6](C[6]C[3,6]N)(C[6]C[6]H)(H){1|H<1>,1|N<2>,2|C<4>}	122.8020	0.041	2	122.8020	0.002	2	122.8020	0.002	2	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(OC)	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(OC){2|C<3>,3|H<1>}	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	120.5520	0.000	1	120.5520	0.000	1	120.5520	0.000	1	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H)	C[6](C[3]C[3]2H)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]H)(C[6]C[6]){2|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	121.1540	0.000	1	121.1540	0.000	1	121.1540	0.000	1	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6,6a]O)(H)	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6]H)(OC)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6,6a]O)(H){2|C<3>,2|C<4>}	C[6](C[5,6,6]C[6,6,6a]C[5,6]C[5])(C[6]C[6]H)(OC){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<2>}	122.2610	0.000	1	122.2610	0.000	1	122.2610	0.000	1	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]N)(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(NC){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<2>}	121.5895	0.039	2	121.5895	0.002	2	121.5895	0.002	2	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|O<2>}	121.8740	0.000	1	121.8740	0.000	1	121.8740	0.000	1	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(OC)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|Ti<13>,1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]H)(OC){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|Ti<13>,1|O<2>,2|C<3>,2|C<4>}	120.9170	0.203	5	120.9170	0.041	5	120.9170	0.041	5	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]C[6]N[5])(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,1|H<1>,1|O<2>}	120.3220	0.403	2	120.3220	0.162	2	121.0281	0.337	10	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(OC){1|O<1>,1|O<2>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|O<2>}	121.1910	0.013	2	121.1910	0.000	2	121.0281	0.337	10	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|N<3>,2|O<1>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	121.9580	0.000	1	121.9580	0.000	1	121.0281	0.337	10	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){2|C<3>,2|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	120.7140	0.000	1	120.7140	0.000	1	121.0281	0.337	10	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|O<2>}	121.1580	0.464	2	121.1458	0.267	4	121.0281	0.337	10	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){2|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|O<2>}	121.1335	0.764	2	121.1458	0.267	4	121.0281	0.337	10	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,5]C[6a]O[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[5]C[5,5]C[6a]O[5])(C[6]C[6]H)(C[6]C[6]){1|N<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	120.1800	0.000	1	120.1800	0.000	1	120.1677	0.064	3	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Br<1>,1|N<3>,3|C<3>}	C[6](C[5]C[6a]C[5]N[5])(C[6]C[6]H)(C[6]C[6]){1|N<3>,1|O<1>,1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	119.9080	0.000	1	119.9080	0.000	1	120.1677	0.064	3	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[5]O[5]2H)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	120.4150	0.000	1	120.4150	0.000	1	120.1677	0.064	3	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(CC)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]H)(CC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|C<2>,2|C<4>}	122.3290	0.233	2	122.3290	0.054	2	122.3290	0.054	2	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	122.6630	0.000	1	122.3575	0.187	2	122.3575	0.187	2	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]H)(OC){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	122.0520	0.000	1	122.3575	0.187	2	122.3575	0.187	2	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)(C[6]C[6]){4|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|C<4>,1|H<1>}	120.2410	0.000	1	120.2410	0.000	1	120.2410	0.000	1	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]CoH)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Co<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]CoH)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<2>}	119.5523	0.431	4	119.5523	0.186	4	119.7525	0.449	10	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]H)(NC[5])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Fe<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]H)(NC[5]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<2>}	120.4940	0.288	2	120.4940	0.083	2	119.7525	0.449	10	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]FeH)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Fe<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]FeH)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<2>}	118.9435	0.578	2	118.9435	0.334	2	119.7525	0.449	10	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]LiH)(C[6]C[6]H)(NC[5a])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Li<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]LiH)(C[6]C[6]H)(NC[5a]){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<2>}	120.2205	0.234	2	120.2205	0.055	2	119.7525	0.449	10	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH)	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6]O[5])(C[6]C[6]H)(H){1|O<2>,3|C<4>}	120.3210	0.000	1	120.3210	0.000	1	120.3210	0.000	1	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(OIr)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(OIr){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<2>}	119.3710	0.000	2	119.3710	0.000	2	119.4952	0.976	17	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	118.1380	0.000	1	118.1380	0.000	1	119.4952	0.976	17	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CP)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]CP)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|O<2>}	119.0165	0.390	2	119.0165	0.152	2	119.4952	0.976	17	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CP)(C[6]C[6]H)(ORh)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|P<4>,2|C<3>}	C[6](C[6]C[6]CP)(C[6]C[6]H)(ORh){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|O<2>}	119.1545	0.040	2	119.1545	0.002	2	119.4952	0.976	17	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<2>}	120.8975	0.183	2	120.8975	0.034	2	119.4952	0.976	17	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Gd<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]GdO)(C[6]C[6]H)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<2>}	120.7275	0.288	2	120.7275	0.083	2	119.4952	0.976	17	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]RhH)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Rh<5>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]RhH)(C[6]C[6]H)(OP){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|O<2>}	118.1600	0.256	2	118.1600	0.066	2	119.4952	0.976	17	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Pd<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(OC){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|O<2>}	119.6568	0.831	4	119.6568	0.690	4	119.4952	0.976	17	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|O<2>}	121.9930	0.533	2	121.9930	0.284	2	121.8084	0.202	5	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)2(H){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]H)2(O){1|C<4>,1|O<2>,2|H<1>}	122.1260	0.000	1	122.1260	0.000	1	121.8084	0.202	5	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]O)2(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<4>,2|O<2>}	121.4650	0.344	2	121.4650	0.118	2	121.8084	0.202	5	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]O)(C[6]N[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	121.9125	0.237	2	121.9125	0.056	2	121.9125	0.056	2	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	Ge-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](GeC[6a]2Rh)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](GeC[6a]2Rh)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Ge<4>,1|C<2>,1|H<1>}	121.3600	0.000	1	121.3600	0.000	1	121.3600	0.000	1	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2C[6])(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]2C[6])(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	119.4610	0.000	1	119.4610	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Ir)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]2Ir)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	121.0800	0.000	1	121.0800	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Pd)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]2Pd)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.5160	0.000	1	120.5160	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Ru)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]2Ru)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	117.2630	0.000	1	117.2630	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[5]Ag)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]C[5]Ag)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.5665	1.170	4	120.5665	1.370	4	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6]Ni)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]C[6]Ni)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.4450	0.000	1	120.4450	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	119.8550	0.000	1	119.8550	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]CoC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]CoC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	121.4920	0.000	1	121.4920	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]NiC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]NiC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	121.0910	0.000	1	121.0910	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]OsC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]OsC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.1400	0.000	1	120.1400	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]PdO)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]PdO)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.7480	0.000	1	120.7480	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]PtC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]PtC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	119.9830	0.000	1	119.9830	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]ReO)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]ReO)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	121.2680	0.000	1	121.2680	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]RuC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,1|H<1>}	C[6](PC[6a]RuC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|P<4>}	121.1430	0.000	1	120.9325	0.089	2	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]RuC)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]RuC)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.7220	0.000	1	120.9325	0.089	2	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]SeN)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](PC[6a]SeN)(C[6]C[6]H)(C[6]C[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<2>,1|H<1>,1|P<4>}	120.3160	0.000	1	120.3160	0.000	1	120.4099	1.065	19	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]C)(H)	C[6](P[6]C[6a]2C[6])(C[6]C[6]H)(CN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]C)(H){1|H<1>,3|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]C[6]H)(CN){1|C<2>,1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|P<4>,2|C<2>}	125.2722	0.516	5	125.2722	0.266	5	125.2722	0.266	5	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]O)(H)	C[6](P[6]C[6]Cu2)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]P[6]O)(H){2|Cu<4>,1|C<3>,1|H<1>}	C[6](P[6]C[6]Cu2)(C[6]C[6]H)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|O<2>,1|P<4>}	123.2050	0.000	1	123.2050	0.000	1	123.2050	0.000	1	120.8563	2.398	96	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]C[5,6]H)(C[6]C[6]H)(C[6]C[6]){1|C<4>,3|O<2>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<2>,1|C<4>,1|O<2>}	121.9210	0.000	1	121.9210	0.000	1	121.9210	0.000	1	120.2836	0.665	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|O<2>,2|C<4>}	119.8667	0.274	3	119.8667	0.075	3	120.1435	0.216	6	120.2836	0.665	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|Tb<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TbO)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]H)2(NN){1|O<2>,2|C<4>}	120.4203	0.485	3	120.4203	0.235	3	120.1435	0.216	6	120.2836	0.665	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[5,6]C[6]Pd)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)2(H){1|Pd<5>,1|C<3>,1|C<5>,1|O<2>}	C[6](C[6]C[5,6]C[6]Pd)(C[6]C[6]H)(OC){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|O<2>}	119.1360	0.000	1	119.1360	0.000	1	119.1360	0.000	1	120.2836	0.665	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]HS)(C[6]C[6]H)(SPd)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<2>,1|H<1>,1|O<2>,1|S<2>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(SPd){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|S<2>}	120.6340	0.000	1	120.6340	0.000	1	120.6340	0.000	1	120.2836	0.665	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:N[6]-2:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[3x6]N[6])(C[6]N[6]C)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(N[6]C[6])	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN)	C[6](C[6]C[3x6]N[6])(C[6]N[6]C)(H){1|Fe<8>,1|C<3>,3|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(N[6]C[6]){1|N<3>,2|C<3>,3|C<4>,6|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|N<2>}	120.6900	0.000	1	120.6900	0.000	1	120.6900	0.000	1	124.6577	11.838	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:3:	C[6]-3:C[6]-3:H-1:	P[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]P[6]C)(H)	C[6](P[6]C[6a]2C[6])(C[6]C[6]H)(CN)	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]P[6]C)(H){1|H<1>,3|C<3>}	C[6](P[6]C[6a]2C[6])(C[6]C[6]H)(CN){1|C<2>,6|C<3>}	C[6](C[6]C[6]H)2(CCH){1|P<4>,2|C<2>}	126.6415	0.251	2	126.6415	0.063	2	126.6415	0.063	2	124.6577	11.838	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(OC){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|O<2>,2|C<4>}	121.0000	0.000	1	121.0000	0.000	1	121.0000	0.000	1	121.7206	0.304	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(SC[6a])	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Ti<9>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|S<2>}	121.9008	0.434	4	121.9008	0.189	4	121.9008	0.189	4	121.7206	0.304	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(Br)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(OC)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O)	C[6](C[6]C[6,6]O)2(Br){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]Br)(OC){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Br)(O){1|O<2>,2|C<4>,4|H<1>}	123.7900	0.000	1	123.7900	0.000	1	123.7900	0.000	1	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]Br)(O)	C[6](C[6]C[6]O)2(Br){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(OC){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]Br)(O){1|H<1>,1|O<2>,2|C<4>}	122.6050	0.000	1	122.6050	0.000	1	122.6050	0.000	1	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]ClH)(C[6]C[6]Cl)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O)	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<4>,3|H<1>}	C[6](C[6]C[6]ClH)(C[6]C[6]Cl)(OC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(O){1|C<4>,1|O<2>,2|H<1>}	124.0700	0.000	1	124.0700	0.000	1	124.0700	0.000	1	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H)	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(OH)	C[6](C[6]C[4x6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(H){2|C<4>,3|H<1>}	C[6](C[3x6]C[4x6]C[6,6]H)(C[6]C[6]H)(OH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4x6]HH)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|C<3>}	123.5370	0.000	1	123.5370	0.000	1	123.5370	0.000	1	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[4,6]O)(C[6]C[6]O)(H)	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]H)(OC)	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[4,6]O)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[4,6]C[4,5,6,6]C[4]H)(C[6]C[6]H)(OC){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[4,5,6,6]HH)(C[6]C[6]H)(O){1|O<2>,3|C<4>}	122.2390	0.000	1	122.2390	0.000	1	122.2390	0.000	1	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OC)	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6,6]C[5,6]H)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6,6]C[5,6,6]2O)(C[6]C[6]H)(O){1|C<3>,1|O<2>,5|C<4>}	117.6220	0.000	1	117.6220	0.000	1	117.6220	0.000	1	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)2(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]O)2(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.3290	0.000	1	120.3290	0.000	1	120.3290	0.000	1	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|O<2>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	122.8990	0.552	2	122.8990	0.304	2	121.6682	0.336	22	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(OH){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	121.9940	0.000	1	121.9940	0.000	1	121.6682	0.336	22	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(OC){1|H<1>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	121.5215	0.422	19	121.5215	0.178	19	121.6682	0.336	22	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)2(H){5|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|H<1>,2|O<2>,4|C<4>}	121.2283	0.386	3	121.2283	0.149	3	120.9626	0.171	7	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)2(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OC){2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|O<1>,1|O<2>,4|C<4>}	121.1250	0.000	1	121.1250	0.000	1	120.9626	0.171	7	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)2(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|O<1>,2|C<4>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(O){1|O<2>,2|C<4>,4|H<1>}	120.6485	0.431	2	120.6485	0.185	2	120.9626	0.171	7	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)2(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){2|C<4>,2|H<1>,3|O<2>}	120.6310	0.000	1	120.6310	0.000	1	120.9626	0.171	7	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(OH){1|H<1>,1|N<3>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	122.2660	0.000	1	122.2660	0.000	1	122.1032	2.715	5	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	121.1340	0.000	1	121.1340	0.000	1	122.1032	2.715	5	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(OC)	C[6](C[6]C[6]BrH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|Br<1>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>,3|O<2>}	C[6](C[6]C[6]BrH)(C[6]C[6]H)(O){1|C<4>,3|O<2>}	122.8715	2.860	2	122.8715	8.181	2	122.1032	2.715	5	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6,6]C[6,6a]C[6,6]O)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	121.3730	0.000	1	121.3730	0.000	1	122.1032	2.715	5	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(OC)	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[3,6]HO)(C[6]C[6]H)(OC){1|O<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]H)(C[6]C[6]H)(O){1|O<2>,2|C<4>}	121.2140	0.000	1	121.2140	0.000	1	121.2140	0.000	1	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]CN)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	121.5800	0.000	1	121.5800	0.000	1	120.7479	1.100	12	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|O<2>,3|C<4>}	120.6880	0.000	1	120.6880	0.000	1	120.7479	1.100	12	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OC[6a]){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|O<2>,3|C<4>}	120.2537	0.799	6	120.2537	0.639	6	120.7479	1.100	12	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|O<2>,3|C<4>}	120.4500	0.000	1	120.4500	0.000	1	120.7479	1.100	12	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OPd)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OPd){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|O<2>,3|C<4>}	121.4510	0.000	1	121.4510	0.000	1	120.7479	1.100	12	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(OPt)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(OPt){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|O<2>,2|H<1>}	123.1530	0.000	1	123.1530	0.000	1	120.7479	1.100	12	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(OC)	C[6](C[6]N[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(H){1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	120.1310	0.000	1	120.1310	0.000	1	120.7479	1.100	12	121.4506	1.442	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N-3:	N[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]N)(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(NCC)	C[6](N[6]C[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]N)(C[6]N[6]H)(H){1|Fe<10>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(NCC){1|N<2>,2|C<4>,2|H<1>}	C[6](N[6]C[5,6])(C[6]C[6]H)(H){1|Fe<10>,1|N<3>,2|C<4>}	124.7760	0.000	1	124.7760	0.000	1	124.7760	0.000	1	123.3382	0.786	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](O[6]C[5,6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]H)(O){1|C<4>,3|C<3>}	122.7973	0.287	3	122.7973	0.082	3	122.9787	0.187	4	123.3382	0.786	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](O[6]C[6,6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]H)(O){1|C<4>,3|C<3>}	123.5230	0.000	1	123.5230	0.000	1	122.9787	0.187	4	123.3382	0.786	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	120.7520	0.123	2	120.7520	0.015	2	120.7520	0.015	2	120.5244	3.339	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[3,6]C[6])(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[3,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]H)2{1|C<2>,2|C<4>,7|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	120.8290	0.136	2	120.8290	0.018	2	120.8290	0.018	2	120.5244	3.339	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6])(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(C[6]N[6]H){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)(C[6]N[6])(H){1|C<3>,1|C<4>}	120.4000	0.000	1	120.4000	0.000	1	120.4000	0.000	1	120.5244	3.339	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]C[5]N[6])(C[6]N[6]Cl)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6])(Cl)	C[6](C[6]C[5]N[6])(C[6]N[6]Cl)(H){1|Fe<10>,1|Pd<4>,1|C<3>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6]Pd)(C[6]C[6]H){1|Cl<1>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6])(Cl){1|C<4>,1|H<1>,1|N<3>}	116.1390	0.000	1	116.1390	0.000	1	116.1390	0.000	1	120.5244	3.339	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)2{1|C<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	120.9390	0.789	2	120.9390	0.623	2	120.9390	0.623	2	120.5244	3.339	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H){1|Cl<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]ClH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|C<4>,3|C<3>}	123.7660	0.000	1	123.7660	0.000	1	123.7660	0.000	1	120.5244	3.339	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,1|H<1>}	C[6](PC[6a]2C[6])(C[6]C[6]H)2{1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|P<4>}	119.1750	0.000	1	119.1750	0.000	1	120.2115	2.149	2	120.5244	3.339	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Mo)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|O<2>}	C[6](PC[6a]2Mo)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	121.2480	0.000	1	121.2480	0.000	1	120.2115	2.149	2	120.5244	3.339	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	As-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](AsC[6]2Pd)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](AsC[6]2Pd)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|As<4>,1|C<3>}	120.4220	0.000	1	120.4220	0.000	1	120.4220	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	As-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]As)(C[6]C[6]H)(H)	C[6](AsC[6a]2Rh)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]As)(C[6]C[6]H)(H){1|C<3>,2|C<4>}	C[6](AsC[6a]2Rh)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|As<4>,1|H<1>,1|N<3>}	120.9010	0.000	1	120.9010	0.000	1	120.9010	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](BC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](BC[6a]2C[6])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>}	123.4260	0.000	1	123.4260	0.000	1	123.4260	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](BC[6a]N[5]2)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|C<3>,2|H<1>}	C[6](BC[6a]N[5]2)(C[6]C[6]H)(N[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|B<4>}	120.2060	0.205	2	120.2060	0.042	2	120.2060	0.042	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](BC[6a]C[6]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](BC[6a]C[6]2)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	121.6109	0.402	18	121.6109	0.161	18	121.2917	0.421	63	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](BC[6a]C[6]2)(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](BC[6a]C[6]2)(N[6]C[6]Mg)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	121.6568	0.296	11	121.6568	0.088	11	121.2917	0.421	63	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](BC[6a]C[6]2)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](BC[6a]C[6]2)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	121.6550	0.898	2	121.6550	0.806	2	121.2917	0.421	63	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](BC[6a]C[6]2)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](BC[6a]C[6]2)(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	121.6852	0.567	9	121.6852	0.321	9	121.2917	0.421	63	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](BC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](BC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	120.7930	0.189	4	120.7930	0.036	4	121.2917	0.421	63	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](BC[6a]N[5]2)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](BC[6a]N[5]2)(N[6]C[6]Co)(C[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|B<4>}	120.4195	0.371	2	120.4195	0.138	2	121.2917	0.421	63	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](BC[6a]N[5]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](BC[6a]N[5]2)(N[6]C[6]Fe)(C[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|B<4>}	120.2125	0.043	2	120.5523	0.080	15	121.2917	0.421	63	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](BC[6a]N[5]2)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](BC[6a]N[5]2)(N[6]C[6]Fe)(C[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|B<4>}	120.6045	0.267	13	120.5523	0.080	15	121.2917	0.421	63	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]B)(H)	C[6](BC[6a]N[5]2)(N[6]C[6]Sc)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]B)(H){1|Sc<8>,1|C<3>,1|H<1>}	C[6](BC[6a]N[5]2)(N[6]C[6]Sc)(C[6]C[6]H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|B<4>}	121.6915	1.317	2	121.6915	1.735	2	121.2917	0.421	63	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B[5]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[5]N[6])(C[6]C[6]H)(H)	C[6](B[5]O[5]2N)(C[6]C[6]H)(N[6]C[6]V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[5]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>,1|V<7>,2|O<2>}	C[6](B[5]O[5]2N)(C[6]C[6]H)(N[6]C[6]V){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|C<3>,1|N<3>}	120.9550	0.000	1	120.9550	0.000	1	120.9550	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]B[6,6]C[6])(C[6]N[6]H)(H)	C[6](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]B[6,6]C[6])(C[6]N[6]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	C[6](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6]C[6]H)2{1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	121.3665	0.972	2	121.3665	0.945	2	121.3665	0.945	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[6]N[6])(C[6]C[6]H)(H)	C[6](B[6]O[6]2O)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>,1|O<3>,2|O<2>}	C[6](B[6]O[6]2O)(N[6]C[6]Ir)(C[6]C[6]H){1|B<3>,1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|B<4>,1|H<1>,1|N<3>}	121.1370	0.031	2	121.1370	0.001	2	121.1370	0.001	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B[6a]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[6a]C[6])(C[6]C[6]H)(H)	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]B[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|O<2>}	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	122.2217	0.302	3	122.2217	0.091	3	122.2217	0.091	3	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5x3,5x5,20x6]HO)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](CC[5x3,5x5,20x6]HO)(C[6]C[6]H)(C[6]N[6]H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|C<4>}	119.2120	0.000	1	119.2120	0.000	1	119.2120	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.8800	0.000	1	120.8800	0.000	1	120.4743	0.125	3	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](CC[5x3,3x5,11x6]HH)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2260	0.000	1	120.2260	0.000	1	120.4743	0.125	3	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3170	0.000	1	120.3170	0.000	1	120.4743	0.125	3	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[3x3,3x5,12x6]HO)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](CC[3x3,3x5,12x6]HO)(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6870	0.000	1	118.6870	0.000	1	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[3x3,4,3x5,14x6]HN)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](CC[3x3,4,3x5,14x6]HN)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8140	0.000	1	118.8140	0.000	1	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[3x3,4,3x5,14x6]HO)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](CC[3x3,4,3x5,14x6]HO)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9900	0.188	2	118.9900	0.035	2	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[5x3,5x5,20x6]HO)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](CC[5x3,5x5,20x6]HO)(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6730	0.000	1	118.6730	0.000	1	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6]N[5]C)(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	C[6](CC[6]N[5]C)(N[6]C[6]Rh)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3790	0.253	2	119.3790	0.064	2	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](CC[6]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2463	0.077	4	119.2463	0.006	4	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6]N[5]H)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](CC[6]N[5]H)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7915	0.288	2	118.7915	0.083	2	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](CC[6]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4130	0.423	4	119.4130	0.179	4	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6]N[6]H)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](CC[6]N[6]H)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7970	0.791	2	118.7970	0.625	2	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[5]O)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](CC[6a]C[5]O)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6270	0.000	1	118.6270	0.000	1	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]C)(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]C)(N[6]C[6]Ag)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1987	0.362	3	119.1987	0.131	3	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.0438	0.522	6	119.2539	0.265	12	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4640	0.453	6	119.2539	0.265	12	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.4235	0.223	2	120.3762	0.212	4	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<6>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]C)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3290	0.759	2	120.3762	0.212	4	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]F)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]F)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4985	0.025	2	118.4985	0.001	2	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]H)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]H)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.5775	0.531	2	120.5775	0.282	2	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]N)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]N)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.0468	1.291	4	118.0468	1.668	4	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.9545	0.499	2	119.3417	0.446	12	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Ag)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4191	0.691	10	119.3417	0.446	12	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2397	0.608	6	119.2433	0.270	8	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.2540	0.212	2	119.2433	0.270	8	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.1084	0.379	12	119.1084	0.143	12	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mo<8>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Mo)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5811	0.219	14	118.5811	0.048	14	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2908	0.578	4	119.2908	0.335	4	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6570	1.079	2	119.6570	1.164	2	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]O)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]O)(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7800	0.980	6	118.7800	0.961	6	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]N[5]2)(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](CC[6a]N[5]2)(N[6]C[6]Cr)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5930	0.000	1	118.5930	0.000	1	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](CC[6a]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.3560	0.000	1	118.3560	0.000	1	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CN[5a]C[6]N[5])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](CN[5a]C[6]N[5])(N[6]C[6]Cr)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8165	0.808	2	118.8165	0.653	2	119.0923	0.483	109	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,5]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[3,5]C[6])(C[6]N[6]H)(H)	C[6](C[3,5]C[3,5,6]C[3]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[3,5]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[3,5]C[3,5,6]C[3]C[5])(C[6]C[6]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.6680	0.440	2	120.6680	0.193	2	120.6680	0.193	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CNO)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CNO){2|C<3>,3|H<1>}	C[6](C[6]C[3,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	122.9030	0.000	1	122.9030	0.000	1	122.9030	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H)	C[6](C[3]C[3]2H)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<4>,3|H<1>}	C[6](C[3]C[3]2H)(C[6]C[6]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	120.0140	0.000	1	120.0140	0.000	1	120.0140	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,5]C[6])(C[6]C[6]H)(H)	C[6](C[4,5]C[4,5]O[4]O[5])(C[6]C[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4,5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	C[6](C[4,5]C[4,5]O[4]O[5])(C[6]C[5a]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<1>}	119.7090	0.000	1	119.7090	0.000	1	119.7090	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]C)(C[6]C[6]H)(H)	C[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCC)	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[4,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6]2H)(C[6]C[6]H)(CCC){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	123.6865	1.025	2	123.6865	1.050	2	123.6865	1.050	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]H)(C[6]N[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.1305	0.551	2	121.1305	0.303	2	121.3557	0.304	3	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[4]C[6a]C[4]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[4]C[6a]C[4]2)(C[6]C[6]H)2{2|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	121.8060	0.000	1	121.8060	0.000	1	121.3557	0.304	3	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]C)(H)	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[4]C[4]2H)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	121.0545	0.220	2	121.0545	0.048	2	120.1734	0.602	22	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.0853	0.757	20	120.0853	0.572	20	120.1734	0.602	22	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.6100	0.157	2	120.3217	0.262	3	120.0563	0.199	6	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7450	0.000	1	120.3217	0.262	3	120.0563	0.199	6	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7910	0.156	3	119.7910	0.024	3	120.0563	0.199	6	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2C)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[4]C[4]2C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|N<4>,6|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3334	0.547	12	120.3334	0.299	12	120.1880	0.294	17	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2C)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>,3|C<4>}	C[6](C[4]C[4]2C)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|N<4>,6|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9490	0.000	1	119.9490	0.000	1	120.1880	0.294	17	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]2H)(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Os<8>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[4]C[4]2H)(N[6]C[6]Os)(C[6]C[6]H){1|C<3>,1|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0800	0.000	1	120.0800	0.000	1	120.1880	0.294	17	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]N[4]H)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Ir<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[4]C[4]N[4]H)(N[6]C[6]Ir)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2500	0.000	1	120.2500	0.000	1	120.1880	0.294	17	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]N[4]H)(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Os<7>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[4]C[4]N[4]H)(N[6]C[6]Os)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3620	0.000	1	119.3620	0.000	1	120.1880	0.294	17	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H)	C[6](C[4]C[4]N[4]H)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[4]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[4]C[4]N[4]H)(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5540	0.000	1	119.5540	0.000	1	120.1880	0.294	17	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[5])(C[6]C[6,6a]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[5])(C[6]C[6,6a]H)(H){1|N<3>,2|N<2>,3|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[5]N[5]2)(C[6]C[6]H){1|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	121.9780	0.000	1	121.9780	0.000	1	121.9780	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(COO)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	122.0900	0.000	1	122.0900	0.000	1	122.8907	0.487	3	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHH)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CHH){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	123.2910	0.112	2	123.2910	0.012	2	122.8907	0.487	3	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]H)(COO){1|O<2>,2|O<1>,3|C<3>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|O<2>}	121.4155	1.027	2	121.4155	1.056	2	121.4155	1.056	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6,6a]H)(H)	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6,6a]H)(H){1|N<3>,5|C<3>}	C[6](C[5,6]C[5,6a]C[6,6a]N[5,5a])(C[6]C[6]2)(C[6]C[6]H){3|H<1>,8|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	124.1360	0.000	1	124.1360	0.000	1	124.1360	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[5]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]N[5])(C[6]N[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(N[5]C[5]2)	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]N[5])(C[6]N[6]H)(H){1|Fe<10>,1|C<3>,4|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,4|C<4>,6|H<1>}	C[6](N[6]C[5,6]C)(C[6]C[6]H)(H){1|Fe<10>,1|N<3>,2|C<4>}	122.6960	0.000	1	122.6960	0.000	1	122.6960	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]N[6])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]N[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(N[6]C[6]O){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	121.4880	0.000	1	121.4880	0.000	1	121.4880	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]H)(H)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]H)(H){1|O<2>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,5,6]C[5])(C[6]C[6]H)(H){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	122.7685	0.607	2	122.7685	0.369	2	122.7685	0.369	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[5a,6]O)(H)	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6a])(C[6]C[5a,6]O)(H){6|C<3>}	C[6](C[5,6]C[5a,6]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,2|H<1>,2|N<3>,2|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,2|C<4>}	125.0140	0.000	1	125.0140	0.000	1	125.0140	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6,6a]O)(H)	C[6](C[5,6]C[6,6a]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6,6a]O)(H){6|C<3>}	C[6](C[5,6]C[6,6a]C[5]2)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<2>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	124.2140	0.397	2	124.2140	0.158	2	124.2140	0.158	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){2|C<4>,4|C<3>}	C[6](C[5,6]C[5,6]C[5]C)(C[6a]C[6a]2)(C[6]C[6]H){1|O<2>,5|C<3>,5|H<1>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	123.3190	0.000	1	123.3190	0.000	1	122.0008	6.471	11	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|Ti<13>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]H)(H){1|Ti<13>,1|C<3>,2|C<4>}	122.9430	0.276	5	122.9430	0.076	5	122.0008	6.471	11	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|Zr<12>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<12>,1|C<3>,2|C<4>}	122.8150	0.000	1	122.3717	0.446	3	122.0008	6.471	11	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|C<3>,2|C<4>}	122.1500	0.772	2	122.3717	0.446	3	122.0008	6.471	11	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|C<4>,1|O<2>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]O)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,6|C<3>}	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){2|C<4>,4|C<3>}	122.3940	0.000	1	122.3940	0.000	1	122.0008	6.471	11	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,5|H<1>,6|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	114.4660	0.000	1	114.4660	0.000	1	122.0008	6.471	11	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(H){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]H){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){1|Zr<13>,1|N<3>,2|C<4>}	120.5580	0.185	2	120.5580	0.034	2	120.5580	0.034	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(H)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O)	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,4|C<3>}	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<2>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	122.7633	0.578	3	122.7633	0.334	3	122.7633	0.334	3	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Rh<8>,2|H<1>,3|C<4>}	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,2|H<1>}	120.3610	0.000	1	120.3610	0.000	1	120.4451	0.801	15	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]F)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<2>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[6]F)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	120.9800	0.000	1	120.9800	0.000	1	120.4451	0.801	15	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<3>,1|C<4>,1|N<2>,1|N<3>}	120.0250	0.000	1	120.1655	0.060	6	120.4451	0.801	15	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|C<4>,1|N<3>,2|C<3>}	120.1215	0.080	2	120.1655	0.060	6	120.4451	0.801	15	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	120.2417	0.356	3	120.1655	0.060	6	120.4451	0.801	15	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<2>,2|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	121.8230	0.000	1	121.8230	0.000	1	120.4451	0.801	15	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	122.0150	0.000	1	122.0150	0.000	1	120.4451	0.801	15	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|N<4>,3|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.8715	1.279	2	120.1008	1.298	5	120.4451	0.801	15	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|W<6>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|W<6>}	118.6490	0.000	1	120.1008	1.298	5	120.4451	0.801	15	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,2|N<3>,3|H<1>}	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>}	120.0560	0.505	2	120.1008	1.298	5	120.4451	0.801	15	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.2735	0.144	6	120.2735	0.021	6	120.2735	0.021	6	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(N[6]C[6]W)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|C<3>,1|H<1>,1|W<6>,2|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(N[6]C[6]W){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.2710	0.000	1	120.2710	0.000	1	120.2600	0.000	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2490	0.000	1	120.2490	0.000	1	120.2600	0.000	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]2Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|Ru<7>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[5]C[5,6]2Ru)(N[6]C[6]Ru)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7010	0.552	2	119.7010	0.304	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	120.2620	0.000	1	120.0773	0.236	19	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0850	0.255	2	120.0773	0.236	19	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.1080	0.000	1	120.0773	0.236	19	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|Ru<7>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H){1|Br<1>,1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	120.8210	0.000	1	120.0773	0.236	19	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|Ru<7>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7933	0.344	8	120.0773	0.236	19	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.6030	0.000	1	120.0773	0.236	19	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|Ru<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	119.7330	0.000	1	120.0773	0.236	19	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){2|Ru<7>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[5]C[5,6]C[5]Ru)(N[6]C[6]Ru)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1065	0.467	4	120.0773	0.236	19	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3450	0.000	1	120.1895	0.048	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|P<4>,2|C<3>,2|H<1>}	C[6](C[5]C[5,6]P[5]H)(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0340	0.000	1	120.1895	0.048	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]2C[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,4|C<3>}	C[6](C[5]C[5,6a]2C[6])(N[6]C[6]Pt)(C[6]C[6]H){1|H<1>,1|N<3>,7|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.9250	0.088	2	120.9250	0.008	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]2C[6a])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,4|C<3>}	C[6](C[5]C[5,6a]2C[6a])(N[6]C[6]Pd)(C[6]C[6]H){2|H<1>,7|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.7420	0.000	1	120.7420	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5]C)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[5]C[5,6a]C[5]C)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.7870	0.000	1	118.7870	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6a]C[5]O)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[5]C[5,6a]C[5]O)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7540	0.000	1	119.7540	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]2C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.0140	0.000	1	120.5725	0.390	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2C[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5]C[5]2C[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	120.1310	0.000	1	120.5725	0.390	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Cd<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6]Cd)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3315	0.788	2	120.3315	0.622	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Cr<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6]Cr)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	120.4340	0.000	1	120.4340	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Mo<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6]Mo)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	119.9300	0.000	1	119.9300	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.3820	0.501	2	120.3820	0.251	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Pt<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4140	0.000	1	119.7760	0.262	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Pt<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.1380	0.000	1	119.7760	0.262	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3210	0.255	2	119.3210	0.065	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<10>,1|Zn<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0605	0.396	4	120.0605	0.157	4	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2O)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<4>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6](C[5]C[5]2O)(N[6]C[6]Ru)(C[6]C[6]H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	120.4160	0.000	1	120.6370	0.098	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2O)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6](C[5]C[5]2O)(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.8580	0.000	1	120.6370	0.098	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Re)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|Re<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Re)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7510	0.310	2	118.7510	0.096	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Re)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|Re<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Re)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.5120	1.174	2	118.5120	1.378	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Ru)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<10>,1|Pt<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Ru)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.4020	0.000	1	121.4020	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|Ru<7>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Ru)(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6110	0.000	1	119.6110	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]C)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5]C[5]N[5]C)(N[6]C[6]Pt)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.3350	0.297	2	118.3350	0.088	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5]C[5]N[5]H)(N[6]C[6]Cd)(C[6]C[6]H){1|C<4>,1|N<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9970	0.000	1	119.9950	0.000	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[5]C[5]N[5]H)(N[6]C[6]Cd)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.9930	0.000	1	119.9950	0.000	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[5]C[5]N[5]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,1|N<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.9270	0.000	1	120.9270	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[5]C[5]N[5]H)(N[6]C[6]Ni)(C[6]C[6]H){1|N<2>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.0805	0.186	2	119.0805	0.035	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]O)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pt<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5]C[5]N[5]O)(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3810	0.195	2	119.3810	0.038	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Co)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.3396	0.440	16	118.3396	0.194	16	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6665	0.359	6	118.6665	0.129	6	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[5]C[6]N[5]O[5])(N[6]C[6]Ni)(C[6]C[6]H){1|N<3>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	117.7855	0.826	4	117.7855	0.682	4	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,5]O[5]H)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[5]N[5,5]O[5]H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9163	0.588	4	118.9163	0.346	4	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5,6]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[5]N[5,6]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.3600	0.000	1	118.3600	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<5>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[5]N[5]2H)(N[6]C[6]Cd)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2970	0.000	1	121.7875	12.405	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[5]N[5]2H)(N[6]C[6]Cd)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	124.2780	0.000	1	121.7875	12.405	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[5]N[5]2H)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6140	0.286	2	119.6140	0.082	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9500	0.000	1	118.3070	0.827	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,2|H<1>,2|N<4>}	C[6](C[5]N[5]2H)(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|S<4>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	117.6640	0.000	1	118.3070	0.827	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[5]N[5]2H)(N[6]C[6]Mn)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4785	0.223	2	119.4785	0.050	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2H)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[5]N[5]2H)(N[6]C[6]Zn)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9390	0.000	1	118.9390	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cd)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3960	0.000	1	119.3960	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8290	0.000	1	118.8290	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.2710	0.000	1	118.2710	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.0450	0.000	1	118.4868	0.221	4	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4545	0.459	2	118.4868	0.221	4	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Pd)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9930	0.000	1	118.4868	0.221	4	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]O[5]H)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Zn<5>,1|C<3>,1|N<4>,1|O<2>,2|H<1>}	C[6](C[5]N[5]O[5]H)(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.4880	0.677	2	119.4880	0.459	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]S[5]H)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|N<3>,1|S<3>,2|H<1>}	C[6](C[5]N[5]S[5]H)(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.0090	0.000	1	120.0090	0.000	1	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	117.9910	0.000	1	117.1655	1.363	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H)	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,2|H<1>,2|O<2>}	C[6](C[5]O[5]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	116.3400	0.000	1	117.1655	1.363	2	119.3518	1.211	113	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	N[6]-3:C[6]-3:O-1:	C[6](C[6]C[5]N[6])(C[6]N[6]O)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](N[6]C[6]Pd)(C[6]C[6]H)(O)	C[6](C[6]C[5]N[6])(C[6]N[6]O)(H){1|Fe<10>,2|Pd<4>,1|C<3>,2|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6]Pd)(C[6]C[6]H){1|N<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]H)(O){1|C<4>,1|H<1>,1|N<3>}	121.7130	0.000	1	121.7130	0.000	1	121.7130	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[5,6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6,6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5,6]C[6,6])(C[6]C[6]H)(H){1|H<1>,1|P<4>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6]P[6])(C[5,6]C[5,5,6]C[5,6])(C[6]C[6]H){1|N<3>,1|O<1>,1|O<2>,2|H<1>,3|C<3>,6|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	124.9540	0.000	1	124.9540	0.000	1	124.9540	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(COO){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|C<3>,3|C<4>}	121.2070	0.000	1	121.2070	0.000	1	121.3545	0.044	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(COO)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]H)(COO){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	121.5020	0.000	1	121.5020	0.000	1	121.3545	0.044	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[3x6]H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|N<4>,3|H<1>}	C[6](C[6,6]C[6,6]N[3x6]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	120.7515	0.197	2	120.7515	0.039	2	120.7515	0.039	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C[6a])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]H)(H){1|Ru<11>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Ru)(C[6a]C[6a]2)(C[6]C[6]H){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){1|Ru<11>,1|C<3>,2|C<4>}	122.7560	0.000	1	122.7560	0.000	1	122.7560	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]FeH)(CC[5a]C[6a])(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Fe<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]FeH)(CC[5a]C[6a])(C[6]C[6]H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	121.5720	0.273	2	121.5720	0.074	2	121.5720	0.074	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[5]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]S)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>,3|C<4>}	C[6](C[6]C[6]CH)(C[5]C[5]2)(C[6]C[6]H){1|N<3>,4|C<4>,5|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]S)(H){1|C<3>,1|C<4>,2|H<1>}	125.1115	0.565	2	125.1115	0.319	2	125.1115	0.319	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6]TbO)(C[5a]N[5a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[5a]C[6])(C[6]C[6]Br)(H){1|Tb<12>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<3>}	C[6](C[6]C[6]TbO)(C[5a]N[5a]2)(C[6]C[6]H){1|Br<1>,1|H<1>,1|O<3>,3|C<3>}	C[6](C[6]C[6]H)2(Br){1|C<3>,1|C<4>,1|O<3>}	118.8420	0.000	1	118.8420	0.000	1	118.8420	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CHN){2|Br<1>,1|C<3>}	C[6](C[6]C[6]H)2(Br){1|Br<1>,1|C<3>,1|C<4>}	119.5040	0.000	1	119.5040	0.000	1	119.5040	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]H)2(Cl){1|Cl<1>,1|C<3>,1|C<4>}	119.7280	0.255	2	119.7280	0.065	2	119.7280	0.065	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]H)(CC[5a]H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	122.0440	0.000	1	122.0440	0.000	1	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Al2)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Al2)(C[6]C[6]H)(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.4120	0.000	1	120.4120	0.000	1	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCrO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCrO){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	124.2270	0.000	1	124.2270	0.000	1	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	121.1540	0.000	1	121.1540	0.000	1	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ce<18>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	120.5205	0.296	4	120.5205	0.088	4	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Dy<11>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|Dy<11>,1|C<3>,1|C<4>,1|O<3>}	120.5280	0.670	2	120.5332	0.159	4	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<2>}	120.5385	0.168	2	120.5332	0.159	4	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	122.3415	0.552	2	122.3415	0.305	2	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ErO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Er<14>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]ErO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	121.8470	0.000	1	121.8470	0.000	1	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Fe<5>,1|Fe<6>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Fe<6>,1|C<4>,2|C<3>}	119.8395	0.252	2	119.6180	0.254	5	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Fe<6>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|Fe<6>,1|C<4>,2|C<3>}	119.4703	0.628	3	119.6180	0.254	5	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Gd<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<2>}	120.8860	0.048	2	121.0615	0.148	4	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Gd<17>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|Gd<17>,1|C<3>,1|C<4>,1|O<3>}	121.2370	0.564	2	121.0615	0.148	4	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Gd<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	122.3435	0.156	2	122.3435	0.024	2	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[5a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.0870	0.000	1	120.0870	0.000	1	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HoO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ho<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HoO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	120.6725	0.196	2	120.6725	0.038	2	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]LaO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<18>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]LaO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	119.7567	0.266	3	119.7567	0.071	3	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<18>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	120.0310	0.105	2	120.0310	0.011	2	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<16>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|U<16>,1|C<3>,1|C<4>,1|O<2>}	120.5639	0.932	20	120.5639	0.868	20	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	121.4820	0.000	1	121.4820	0.000	1	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Tb<11>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|Tb<11>,1|C<3>,1|C<4>,1|O<3>}	120.2675	0.107	2	120.7648	1.238	6	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Tb<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	120.3885	0.153	2	120.7648	1.238	6	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Tb<16>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|Tb<16>,1|C<3>,1|C<4>,1|O<3>}	121.6385	1.962	2	120.7648	1.238	6	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<12>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Ti<12>,1|C<3>,1|C<4>,1|O<2>}	121.1033	0.500	3	120.3678	2.331	4	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	118.1610	0.000	1	120.3678	2.331	4	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<12>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Ti<12>,1|C<3>,1|C<4>,1|O<2>}	121.5417	0.397	6	121.5417	0.158	6	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CHN){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	120.2210	0.376	2	120.2210	0.142	2	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(CBC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<15>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(CBC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	122.1800	0.000	1	122.1800	0.000	1	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]O[6]CC)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]O[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]O[6]CC)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]O[6]O)(H){1|C<3>,1|C<4>}	120.3000	0.000	1	120.3000	0.000	1	120.7648	1.064	75	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	121.8045	0.362	4	121.8045	0.131	4	121.1513	0.760	20	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(C[6]N[6]H){1|Ir<8>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|C<4>}	119.1260	0.000	1	119.1260	0.000	1	121.1513	0.760	20	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2Rh)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Rh<6>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]2Rh)(C[6]C[6]H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	121.1800	0.000	1	121.1800	0.000	1	121.1513	0.760	20	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]Li2)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Li<3>,1|Li<4>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]Li2)(C[6]C[6]2)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	119.9010	0.000	1	119.9010	0.000	1	121.1513	0.760	20	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]LiH)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Li<4>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]LiH)(C[6]C[6]2)(C[6]C[6]H){1|Li<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.8490	0.000	1	120.8490	0.000	1	121.1513	0.760	20	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	119.8310	0.000	1	119.8310	0.000	1	121.1513	0.760	20	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]PrH)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pr<17>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]PrH)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	121.2080	0.000	1	121.2080	0.000	1	121.1513	0.760	20	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]PrO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pr<17>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]PrO)(C[6]C[6]2)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	120.7040	0.000	1	120.7040	0.000	1	121.1513	0.760	20	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Ti<10>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]TiO)(C[6]C[6]2)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	121.6146	0.507	8	121.6146	0.257	8	121.1513	0.760	20	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>}	120.0910	0.000	1	120.0910	0.000	1	121.1513	0.760	20	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6]H)2(O){1|C<3>,1|C<4>,1|H<1>}	122.4850	0.137	2	122.4850	0.019	2	122.4850	0.019	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]H)(N[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	120.6472	1.525	4	120.6472	2.327	4	120.7288	1.779	5	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	121.0550	0.000	1	121.0550	0.000	1	120.7288	1.779	5	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(C[6]C[6]H){1|C<4>,1|O<2>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	123.3380	0.000	1	123.3380	0.000	1	123.3380	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]CrH)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cr<7>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]CrH)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	119.0015	0.026	2	119.0015	0.001	2	120.0710	1.854	8	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]MoH)(C[6]C[6]H)(NCP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Mo<7>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]MoH)(C[6]C[6]H)(NCP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|N<3>}	118.8945	0.039	2	118.8945	0.002	2	120.0710	1.854	8	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]OW)(C[6]C[6]H)(NC[6a]2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,1|W<9>}	C[6](C[6]C[6]OW)(C[6]C[6]H)(NC[6a]2){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|W<9>}	120.0870	0.000	1	120.0870	0.000	1	120.0710	1.854	8	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(NCC){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,1|C<4>,2|N<3>}	121.1625	0.525	2	121.1625	0.276	2	120.0710	1.854	8	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]Rh)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Rh<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]Rh)(C[6]C[6]H)(NCC){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Rh<5>,1|C<4>,1|H<1>,1|N<3>}	122.3640	0.000	1	122.3640	0.000	1	120.0710	1.854	8	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]N[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(N[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]N[6]O)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	121.9155	0.363	2	121.9155	0.132	2	121.9155	0.132	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	120.7890	0.000	1	120.7890	0.000	1	120.7890	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(N[6]C[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	121.4563	0.309	3	121.4563	0.096	3	121.3137	0.069	8	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]2O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.2680	0.000	1	121.2680	0.000	1	121.3137	0.069	8	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]Br)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|C<3>,1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]H)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	121.1040	0.000	1	121.1040	0.000	1	121.3137	0.069	8	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6]O[6]O)(C[6]C[6]H)(N[6]C[6]O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	121.2563	0.298	3	121.2563	0.089	3	121.3137	0.069	8	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(OTbC)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|Tb<12>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]TbO)(C[6]C[6]H)(OTbC){1|Br<1>,2|C<3>}	C[6](C[6]C[6]H)2(Br){1|C<3>,1|C<4>,1|O<3>}	118.8050	0.000	1	118.8050	0.000	1	118.8050	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(OCeC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ce<18>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]CeO)(C[6]C[6]H)(OCeC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	119.5110	1.034	4	119.5110	1.069	4	119.6307	0.979	18	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]ErO)(C[6]C[6]H)(OErC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Er<14>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]ErO)(C[6]C[6]H)(OErC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	119.8220	0.000	1	119.8220	0.000	1	119.6307	0.979	18	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HoO)(C[6]C[6]H)(OHoC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ho<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HoO)(C[6]C[6]H)(OHoC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	119.8525	0.264	2	119.8525	0.070	2	119.6307	0.979	18	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]LaO)(C[6]C[6]H)(OLaC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|La<18>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]LaO)(C[6]C[6]H)(OLaC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	120.7297	0.508	3	120.7297	0.258	3	119.6307	0.979	18	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]NdO)(C[6]C[6]H)(ONdC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Nd<18>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]NdO)(C[6]C[6]H)(ONdC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	118.5170	0.619	2	118.5170	0.384	2	119.6307	0.979	18	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(OTbC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Tb<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TbO)(C[6]C[6]H)(OTbC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	120.1070	0.468	2	120.1070	0.219	2	119.6307	0.979	18	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(OTiC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ti<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(OTiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<3>}	118.0705	0.083	2	118.0705	0.007	2	119.6307	0.979	18	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(OYbC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Yb<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]YbO)(C[6]C[6]H)(OYbC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|O<3>}	120.1015	0.425	2	120.1015	0.181	2	119.6307	0.979	18	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a]O)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(SC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|O<2>,1|S<3>}	119.4675	1.356	2	119.4675	1.837	2	120.2040	1.505	6	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]NY)(C[6]C[6]H)(SYY)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|Y<12>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NY)(C[6]C[6]H)(SYY){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|S<3>}	121.6540	0.000	1	121.6540	0.000	1	120.2040	1.505	6	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(SC[6]Ti)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(SC[6]Ti){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|S<3>}	119.5665	0.026	2	119.5665	0.001	2	120.2040	1.505	6	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(SYb2)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|Yb<12>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]YbN)(C[6]C[6]H)(SYb2){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|S<3>}	121.5020	0.000	1	121.5020	0.000	1	120.2040	1.505	6	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]AlH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Al<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]AlH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.4760	1.858	2	120.4760	3.453	2	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]GaH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ga<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]GaH)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	121.6155	0.005	2	121.6155	0.000	2	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]LaH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|La<13>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]LaH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<13>,1|C<3>,1|C<4>,1|H<1>}	120.9500	0.000	1	120.9500	0.000	1	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]Li2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Li<3>,1|Li<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]Li2)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	120.6100	0.000	1	120.5280	0.041	3	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]Li2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){2|Li<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]Li2)(C[6a]C[6a]2)(C[6]C[6]H){1|O<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	120.4870	0.269	2	120.5280	0.041	3	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]LiNi)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Li<3>,1|Ni<7>,1|H<1>,3|C<3>}	C[6](C[6]C[6]LiNi)(C[6a]C[6a]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	119.9830	0.000	1	119.9830	0.000	1	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Mo<7>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Mo<7>,1|C<4>,1|H<1>,3|C<3>}	120.8575	0.202	4	120.8575	0.041	4	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]Ni2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ni<4>,1|Ni<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]Ni2)(C[6a]C[6a]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	120.7320	0.000	1	120.7705	0.003	2	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]Ni2)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ni<4>,1|Ni<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]Ni2)(C[6a]C[6a]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|H<1>}	120.8090	0.000	1	120.7705	0.003	2	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|Ni<6>,1|C<3>,1|C<4>,1|H<1>}	119.4380	0.000	1	119.4380	0.000	1	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|P<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<4>,1|H<1>,3|C<3>}	120.3818	0.756	4	120.3198	0.397	6	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]NiH)(C[6a]C[6a]2)(C[6]C[6]H){1|S<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ni<5>,1|C<4>,1|H<1>,3|C<3>}	120.1960	0.477	2	120.3198	0.397	6	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]PrO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Pr<17>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]PrO)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	122.2200	0.472	2	122.1137	0.145	3	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]PrO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Pr<17>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]PrO)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	121.9010	0.000	1	122.1137	0.145	3	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]PtH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Pt<5>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]PtH)(C[6a]C[6a]2)(C[6]C[6]H){1|S<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Pt<5>,1|C<4>,1|H<1>,3|C<3>}	120.8307	0.324	6	120.8307	0.105	6	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]ThO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Th<12>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]ThO)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	120.8185	0.584	4	120.8664	0.267	5	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]ThO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Th<12>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]ThO)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	121.0580	0.000	1	120.8664	0.267	5	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]TiO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ti<10>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]TiO)(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,2|C<3>}	121.5765	0.487	8	121.5765	0.237	8	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]TaO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ta<13>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]TaO)(C[6a]C[6a]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ta<13>,1|C<3>,1|C<4>}	122.3465	0.681	2	122.3465	0.464	2	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]TiO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|Ti<9>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]N[6]TiO)(C[6a]C[6a]2)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ti<9>,1|C<3>,1|C<4>}	121.2740	0.676	2	121.2740	0.457	2	121.0112	0.616	48	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	N[5,6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[5,6]O)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]N[5,6]O)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,3|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	123.0845	0.139	2	123.0845	0.019	2	123.0845	0.019	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6,6]O)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6,6]O)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]H)(O){1|N<3>,1|O<1>,2|C<3>,2|C<4>}	123.1950	0.000	1	123.1950	0.000	1	123.2275	0.002	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6,6]O)(H)	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6,6]O)(H){1|C<4>,1|S<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,1|O<1>,1|P<4>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]S[6])(C[6]C[6]H)(O){1|C<4>,1|O<2>,1|P<4>,2|C<3>,2|O<1>}	123.2600	0.000	1	123.2600	0.000	1	123.2275	0.002	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]OW)(NC[6a]C[6])(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,1|W<9>}	C[6](C[6]C[6]OW)(NC[6a]C[6])(C[6]C[6]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|W<9>}	120.7400	0.202	2	120.7400	0.041	2	120.7400	0.041	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]N[6])(C[6]C[6]Br)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){1|Br<1>,1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6]H)2(Br){1|C<4>,1|H<1>,1|N<3>}	117.5145	0.108	2	117.5145	0.012	2	117.5145	0.012	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){1|Cl<1>,1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6]H)2(Cl){1|C<4>,1|H<1>,1|N<3>}	117.4835	0.457	2	117.4835	0.209	2	117.4835	0.209	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6265	0.202	2	118.6769	0.140	8	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.6857	0.514	4	118.6769	0.140	8	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7095	0.374	2	118.6769	0.140	8	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Fe)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7890	0.231	2	118.7890	0.053	2	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<7>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Mn)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5575	0.551	2	119.5575	0.303	2	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H){1|H<1>,2|C<3>,5|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.2090	1.830	2	118.9895	1.078	6	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3610	0.085	2	118.9895	1.078	6	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3985	0.450	2	118.9895	1.078	6	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|C<3>,1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]C[6,6]N[6]H)(N[6]C[6]Zn)(C[6]C[6]H){2|C<3>,2|H<1>,4|C<4>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.8395	0.706	2	118.8395	0.499	2	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]O[6]C)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<8>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O[6]C)(N[6]C[6]Ir)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.4320	0.000	1	120.4320	0.000	1	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2Cr)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<9>,1|Pd<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Cr)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.7971	0.839	7	119.8083	0.604	8	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2Cr)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<9>,1|Pd<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Cr)(N[6]C[6]Pd)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.8860	0.000	1	119.8083	0.604	8	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2Cr)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<9>,1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Cr)(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3172	0.370	10	119.3172	0.137	10	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2Ir)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<11>,1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Ir)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.4830	0.000	1	118.4830	0.000	1	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2O)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<4>,1|C<3>,1|H<1>,1|O<3>,2|C<4>}	C[6](C[6]C[6]2O)(N[6]C[6]Ru)(C[6]C[6]H){1|Br<1>,1|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]H)2(H){1|Br<1>,1|C<4>,1|N<3>}	119.7870	0.000	1	119.7870	0.000	1	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]2Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<12>,1|Ru<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Ru)(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	118.7970	0.000	1	118.7970	0.000	1	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]C)(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<5>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6]C)(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6700	0.170	2	119.6700	0.029	2	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.2230	0.000	1	119.2230	0.000	1	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]Cr)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6035	0.138	2	119.6035	0.019	2	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ir)(C[6]C[6]H){1|P<4>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	119.6690	0.000	1	119.6690	0.000	1	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.6000	0.000	1	119.6000	0.000	1	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<5>,1|C<3>,1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[6]H)(N[6]C[6]Ru)(C[6]C[6]H){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.5490	0.000	1	119.5490	0.000	1	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[5,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]N[5,6]N[6]H)(N[6]C[6]Cu)(C[6]C[6]H){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|C<4>,1|N<3>}	118.6280	0.000	1	118.6280	0.000	1	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]2H)(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]N[6]2H)(N[6]C[6]Cr)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3830	0.000	1	119.3830	0.000	1	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]2H)(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,1|N<3>,1|N<4>,2|H<1>}	C[6](C[6]N[6]2H)(N[6]C[6]Ni)(C[6]C[6]H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	119.3100	0.000	1	119.3100	0.000	1	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]N[6]2O)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,1|O<2>,2|N<3>}	C[6](C[6]N[6]2O)(N[6]C[6]Re)(C[6]C[6]H){1|Re<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<3>}	120.6510	0.000	1	120.6510	0.000	1	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,1|O<2>,1|O<3>,2|H<1>}	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	118.8440	0.000	1	118.3255	0.538	2	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]O[6]2H)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|N<3>,2|C<4>}	117.8070	0.000	1	118.3255	0.538	2	119.2513	0.497	56	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Ge-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](GeC[6]2Ge)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](GeC[6]2Ge)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ge<4>,1|C<3>}	120.3910	0.000	1	120.3910	0.000	1	120.3910	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]GeLi)(N[6]C[6]Li)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Li<7>,1|C<3>,1|H<1>}	C[6](NC[6a]GeLi)(N[6]C[6]Li)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|N<4>}	119.4670	0.000	1	119.4670	0.000	1	119.0470	0.353	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(H)	C[6](NC[6a]LiZn)(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](NC[6a]LiZn)(N[6]C[6]Zn)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|N<4>}	118.6270	0.000	1	118.6270	0.000	1	119.0470	0.353	2	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Co2)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){2|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co2)(C[6]C[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<3>}	118.7035	0.006	2	118.7035	0.000	2	119.5565	1.004	10	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]MgC)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Mg<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[6]MgC)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<3>}	119.8685	0.459	2	119.8685	0.211	2	119.5565	1.004	10	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]Ni2)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){2|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni2)(C[6]C[6]H)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<3>}	119.0180	0.504	4	119.0180	0.254	4	119.5565	1.004	10	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]ZrO)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Zr<16>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[6]ZrO)(C[6]C[6]H)(CNO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)2(H){1|Zr<16>,1|C<3>,1|N<4>,1|O<2>}	121.1745	0.151	2	121.1745	0.023	2	119.5565	1.004	10	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[5]C[6]Pd)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[5]C[6]Pd)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.1580	0.000	1	120.1580	0.000	1	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Ag)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[6a]2Ag)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.2610	0.000	1	120.2610	0.000	1	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Cu)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[6a]2Cu)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.8210	0.051	3	120.7235	0.040	4	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Cu)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<4>,2|H<1>}	C[6](PC[6a]2Cu)(C[6]C[6]H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	120.4310	0.000	1	120.7235	0.040	4	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Ir)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[6a]2Ir)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.2020	0.000	1	120.2020	0.000	1	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Pd)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|H<1>,2|C<4>}	C[6](PC[6a]2Pd)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>,2|H<1>}	120.6220	0.000	1	120.6220	0.000	1	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Pd)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[6a]2Pd)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.4020	0.506	3	120.4020	0.256	3	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Pt)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<4>,2|H<1>}	C[6](PC[6a]2Pt)(C[6]C[6]H)2{1|Ti<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ti<10>,1|C<3>,1|N<3>,1|P<4>}	119.8350	0.843	3	119.8350	0.711	3	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Rh)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<4>,2|H<1>}	C[6](PC[6a]2Rh)(C[6]C[6]H)2{1|Ti<8>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)2(H){1|Ti<8>,1|C<3>,1|N<3>,1|P<4>}	119.8950	0.566	2	119.8950	0.320	2	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[6a]C[6]O)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.1400	0.000	1	120.1400	0.000	1	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.5150	0.000	1	120.5150	0.000	1	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6]S)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[6a]C[6]S)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	119.8440	0.734	2	119.8440	0.539	2	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6]Sb)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[6a]C[6]Sb)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	121.6700	0.000	1	121.6700	0.000	1	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]CrH)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[6a]CrH)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.4360	0.000	1	120.4360	0.000	1	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]MoC)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[6a]MoC)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.8017	0.563	3	120.8017	0.318	3	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]PdC)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[6a]PdC)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.6745	0.135	2	120.6745	0.018	2	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]RuC)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](PC[6a]RuC)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.1280	0.000	1	120.1280	0.000	1	120.3918	0.320	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](PC[6a]2Fe)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	C[6](PC[6a]2Fe)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	120.5530	0.000	1	120.5530	0.000	1	119.8296	1.080	5	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](PC[6a]2Ir)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](PC[6a]2Ir)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.9080	0.000	1	119.9080	0.000	1	119.8296	1.080	5	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](PC[6a]2Pd)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	C[6](PC[6a]2Pd)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	120.3030	0.533	2	120.3030	0.284	2	119.8296	1.080	5	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](PC[6a]2Pt)(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	C[6](PC[6a]2Pt)(C[6]C[6]H)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|N<3>,1|P<4>}	118.0810	0.000	1	118.0810	0.000	1	119.8296	1.080	5	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](PC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](PC[6a]C[6]C)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	118.2495	0.052	2	118.2495	0.003	2	118.9225	1.272	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](PC[6a]C[6]Cu)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](PC[6a]C[6]Cu)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	119.3531	0.339	20	119.3531	0.115	20	118.9225	1.272	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](PC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](PC[6a]C[6]O)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<4>}	117.7117	1.936	6	117.7117	3.750	6	118.9225	1.272	28	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H)	C[6](P[6]C[6a]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,2|N<2>}	C[6](P[6]C[6a]N[6]2)(C[6]C[6]H)2{1|H<1>,2|P<4>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,1|P<4>}	120.4800	0.000	1	120.4800	0.000	1	120.4800	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]2C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](SiC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>}	121.9930	0.000	1	121.9930	0.000	1	121.1912	0.599	12	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](SiC[6a]2C[6])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>}	121.4490	0.000	1	121.4490	0.000	1	121.1912	0.599	12	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]2O[4])(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](SiC[6a]2O[4])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>}	122.1910	0.000	1	122.1910	0.000	1	121.1912	0.599	12	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]CC)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](SiC[6a]CC)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|Si<4>,1|C<3>}	120.7380	0.259	2	120.7380	0.067	2	121.1912	0.599	12	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]CC)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](SiC[6a]CC)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>}	121.2200	0.000	1	121.2200	0.000	1	121.1912	0.599	12	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]C[6]C)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](SiC[6a]C[6]C)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Pd<4>,1|Si<4>,1|C<3>}	120.5018	0.352	4	120.5018	0.124	4	121.1912	0.599	12	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]C[6]Si)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](SiC[6a]C[6]Si)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>}	121.9790	0.943	2	121.9790	0.890	2	121.1912	0.599	12	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]2C[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](SiC[6a]2C[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<4>,1|N<3>}	120.3470	0.163	2	120.3470	0.026	2	120.1696	0.126	7	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]2C[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](SiC[6a]2C[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<4>,1|N<3>}	120.5215	0.207	2	120.5215	0.043	2	120.1696	0.126	7	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]C[6]2)(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](SiC[6a]C[6]2)(N[6]C[6]Mo)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<4>,1|N<3>}	119.8167	0.023	3	119.8167	0.001	3	120.1696	0.126	7	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](Si[6]C[6a]O[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)2(H)	C[6](C[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,2|O<2>}	C[6](Si[6]C[6a]O[6]2)(C[6]C[6]H)2{2|Si<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>}	122.6750	0.000	1	122.6750	0.000	1	122.6750	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	120.6640	0.000	1	120.6640	0.000	1	120.6640	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]O)(CHH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	116.3220	0.000	1	116.3220	0.000	1	117.1348	0.542	5	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHH)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CHH){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	117.3380	0.668	4	117.3380	0.447	4	117.1348	0.542	5	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>}	115.6850	0.000	1	115.6850	0.000	1	117.9093	3.716	3	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	119.0215	0.100	2	119.0215	0.010	2	117.9093	3.716	3	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]C[6]O)(O)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	118.7570	0.000	1	118.7570	0.000	1	118.7570	0.000	1	120.1767	1.996	791	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6](C[6]C[5]N[6])(C[6]N[6]2)(H)	C[6](C[5]C[5]2Fe)(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6])	C[6](C[6]C[5]N[6])(C[6]N[6]2)(H){1|Fe<10>,1|Pd<4>,1|C<3>,4|C<4>}	C[6](C[5]C[5]2Fe)(N[6]C[6]Pd)(C[6]C[6]H){1|N<2>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)(N[6]C[6]2)(N[6]C[6]){1|N<3>,3|C<4>,5|H<1>}	118.4110	0.000	1	118.4110	0.000	1	118.4110	0.000	1	120.2340	3.495	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	122.8985	0.506	2	122.8985	0.256	2	122.6837	0.266	3	120.2340	3.495	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]H)(COO){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]H)2(OC){1|C<3>,1|C<4>,1|O<1>}	122.2540	0.000	1	122.2540	0.000	1	122.6837	0.266	3	120.2340	3.495	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC){1|C<4>,2|H<1>,3|C<3>}	120.1770	0.093	2	120.1770	0.009	2	120.1770	0.009	2	120.2340	3.495	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|O<1>}	120.1123	0.096	3	120.1123	0.009	3	120.1123	0.009	3	120.2340	3.495	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:2:	C[6]-3:C[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|C<4>,1|O<1>}	117.7105	0.527	2	117.7105	0.278	2	117.7105	0.278	2	120.2340	3.495	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[5,6]N)(C[6]C[6]N)(H)	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]N)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[5,6]C[6]O[5]2)(C[6]C[6]H)(NOO){1|C<3>,2|C<4>,2|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<4>,2|N<3>}	120.2890	0.055	2	120.2890	0.003	2	120.2890	0.003	2	122.0179	7.427	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:N-3:	C[6](C[6]C[5a,6]N)(C[6]C[6,6]N)(H)	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6]H)(NOO)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO)	C[6](C[6]C[5a,6]N)(C[6]C[6,6]N)(H){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6]H)(NOO){1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]H)(NOO){1|C<4>,1|N<2>,1|N<3>,1|O<2>}	124.2660	0.000	1	124.2660	0.000	1	124.2660	0.000	1	122.0179	7.427	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	119.9160	0.000	1	119.9160	0.000	1	119.9160	0.000	1	122.0179	7.427	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]NiO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){1|Ni<5>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]NiO)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,1|N<3>,1|P<4>,4|C<3>}	C[6](C[6]C[6]H)2(NCC){1|C<4>,2|C<3>}	121.9073	0.286	3	121.9073	0.082	3	121.9073	0.082	3	122.0179	7.427	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]Si[6])(C[6]C[6]C)(H)	C[6](Si[6]C[6]CC)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H)	C[6](C[6]C[6a]Si[6])(C[6]C[6]C)(H){2|C<4>,4|C<3>}	C[6](Si[6]C[6]CC)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,5|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H){1|Si<4>,2|C<3>}	128.1480	0.000	1	128.1480	0.000	1	128.1480	0.000	1	122.0179	7.427	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:3:	C[6]-3:C[6]-3:O-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[5]C[6])(C[6]C[6]N)(O)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|O<1>}	119.5310	0.000	1	119.5310	0.000	1	119.5310	0.000	1	122.0179	7.427	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[6a]Si[5]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5]C[6a]Si[5]C[5])(C[6]C[6]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	122.7415	0.538	2	122.7415	0.290	2	122.7415	0.290	2	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|Fe<10>,1|Mo<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,2|C<4>}	121.3490	0.771	4	121.3490	0.595	4	121.6039	0.419	8	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[5]C[5]2Ru)(C[6]C[6]H)2	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|Ru<10>,1|Mo<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[5]C[5]2Ru)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](N[6]C[6]Mo)(C[6]C[6]H)(CHHP){1|C<3>,2|C<4>}	121.8588	0.458	4	121.8588	0.210	4	121.6039	0.419	8	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](C[5]C[5]2H)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[5]C[5]2H)(N[6]C[6]Pt)(C[6]C[6]H){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	122.0960	0.000	1	122.0960	0.000	1	122.0960	0.000	1	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CCN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	122.5980	0.000	1	122.5980	0.000	1	122.6252	0.200	4	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CNN)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CNN){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	122.0020	0.000	1	122.0020	0.000	1	122.6252	0.200	4	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6]H)(COO){2|C<4>,3|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	122.9505	0.021	2	122.9505	0.000	2	122.6252	0.200	4	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	121.9290	0.000	1	121.9290	0.000	1	122.5193	0.317	7	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Ti<12>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]TiO)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	122.2475	0.073	2	122.2475	0.005	2	122.5193	0.317	7	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Zr<8>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]ZrO)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	123.2675	0.199	2	123.2675	0.039	2	122.5193	0.317	7	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Zr<14>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]ZrO)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	122.3380	0.421	2	122.3380	0.178	2	122.5193	0.317	7	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]ErN)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|Er<10>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]ErN)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	122.9497	0.739	4	122.9497	0.547	4	122.3953	0.926	12	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]TaO)(C[6]C[6]H)(N[5]N[5]2)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|Ta<7>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[6]TaO)(C[6]C[6]H)(N[5]N[5]2){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	120.2020	0.000	1	120.2020	0.000	1	122.3953	0.926	12	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|Yb<10>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]YbN)(C[6]C[6]H)(N[5]C[5]2){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	122.3919	0.646	7	122.3919	0.418	7	122.3953	0.926	12	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]EuO)(C[6]C[6]H)(OEuC)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Eu<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]EuO)(C[6]C[6]H)(OEuC){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|O<3>,2|C<4>}	120.4610	0.417	2	120.4610	0.174	2	120.3467	0.126	3	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]OY)(C[6]C[6]H)(OCY)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Y<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]OY)(C[6]C[6]H)(OCY){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|O<3>,2|C<4>}	120.1180	0.000	1	120.1180	0.000	1	120.3467	0.126	3	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:P-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(PCC)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Ti<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(PCC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<3>}	122.9000	0.000	1	122.9000	0.000	1	122.9000	0.000	1	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]TaO)(C[6]C[6]H)(SC[6]Ta)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Ta<13>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TaO)(C[6]C[6]H)(SC[6]Ta){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|S<3>}	120.8440	0.197	2	120.8440	0.039	2	120.4996	0.176	5	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(SC[6]Ti)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(SC[6]Ti){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|S<3>}	120.5760	0.000	1	120.5760	0.000	1	120.4996	0.176	5	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:S-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(SC[6]Zr)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(SC[6]Zr){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|S<3>,2|C<4>}	120.1170	0.358	2	120.1170	0.128	2	120.4996	0.176	5	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]CoO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|Co<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CoO)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|Co<5>,1|C<4>,2|C<3>}	122.0020	0.000	1	122.0020	0.000	1	122.5324	0.159	5	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]IrO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|Ir<5>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]IrO)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	122.6245	0.381	2	122.6245	0.145	2	122.5324	0.159	5	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]PtO)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|Pt<5>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]PtO)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|H<1>,1|P<4>,4|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	122.7055	0.364	2	122.7055	0.133	2	122.5324	0.159	5	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]2Cr)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cr<9>,1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Cr)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	121.5810	0.000	1	121.5810	0.000	1	120.5513	1.792	3	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6]Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<8>,1|Ru<9>,1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N[6]Ru)(N[6]C[6]Ru)(C[6]C[6]H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(CF3){1|C<4>,1|H<1>,1|N<3>}	119.0380	0.000	1	119.0380	0.000	1	120.5513	1.792	3	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6]Ru)(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<8>,1|Ru<9>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[6]N[6]Ru)(N[6]C[6]Ru)(C[6]C[6]H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	121.0350	0.000	1	121.0350	0.000	1	120.5513	1.792	3	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(O){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	116.3810	0.000	1	116.3810	0.000	1	116.3810	0.000	1	121.8159	1.697	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(Br)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(Br){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(NCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Br)(O){1|C<4>,1|N<3>,2|H<1>}	125.0560	0.000	1	125.0560	0.000	1	125.0560	0.000	1	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH)	C[6](C[6]C[6]CC)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CHH){1|C<4>,1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>}	124.6330	0.000	1	124.6330	0.000	1	124.6330	0.000	1	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6a])(C[6]C[5,6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	122.0240	0.000	1	122.0240	0.000	1	122.0240	0.000	1	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H){1|H<1>,2|C<4>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	124.0980	0.000	1	124.0980	0.000	1	124.1910	0.017	2	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(H){1|C<4>,2|H<1>,4|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,3|H<1>,3|O<1>,5|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	124.2840	0.000	1	124.2840	0.000	1	124.1910	0.017	2	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6a]-3:C[6]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]C[6a])(C[6]C[6,6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]C[6a])(C[6]C[6,6]O)(H){2|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]C[6]H)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,2|O<1>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	123.3605	0.329	2	123.3605	0.108	2	123.3605	0.108	2	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){1|C<4>,3|C<3>}	122.1060	0.000	1	122.1060	0.000	1	122.0730	0.002	2	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]N[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|S<4>}	122.0400	0.000	1	122.0400	0.000	1	122.0730	0.002	2	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CF)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|F<1>,2|H<1>}	C[6](C[6]C[6]CF)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	124.3370	0.000	1	124.3370	0.000	1	123.1139	0.647	7	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|H<1>,2|C<3>}	123.2140	0.000	1	123.3222	0.006	4	123.1139	0.647	7	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,3|C<3>}	123.3470	0.000	1	123.3222	0.006	4	123.1139	0.647	7	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,3|C<4>}	123.3640	0.045	2	123.3222	0.006	4	123.1139	0.647	7	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CNO){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|C<4>,2|H<1>}	122.0855	0.281	2	122.0855	0.079	2	123.1139	0.647	7	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>}	122.3100	0.000	1	122.3100	0.000	1	121.8431	0.355	28	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	121.3970	0.000	1	121.9744	0.176	5	121.8431	0.355	28	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|N<3>,1|O<2>,2|C<4>}	121.6770	0.000	1	121.9744	0.176	5	121.8431	0.355	28	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NCH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|N<3>,3|C<4>}	122.2660	0.120	3	121.9744	0.176	5	121.8431	0.355	28	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[5a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|N<3>,3|C<4>}	121.5340	0.300	4	121.5340	0.090	4	121.8431	0.355	28	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	122.0220	0.287	2	122.0220	0.082	2	121.8431	0.355	28	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	123.3660	0.000	1	123.3660	0.000	1	121.8431	0.355	28	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|H<1>,1|N<3>,2|C<4>}	122.2670	0.000	1	122.2670	0.000	1	121.8431	0.355	28	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	122.2812	0.736	4	121.6866	0.379	14	121.8431	0.355	28	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|N<3>,3|C<4>}	121.4488	0.383	10	121.6866	0.379	14	121.8431	0.355	28	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]O)(H){1|C<4>,1|S<4>,2|C<3>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]H){1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]S[5]H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|O<1>,3|C<4>}	123.7020	0.000	1	123.7020	0.000	1	123.7020	0.000	1	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]CC)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]CC)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|C<4>,3|C<3>}	124.3160	0.000	1	124.3160	0.000	1	124.3160	0.000	1	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:I-1:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(I)	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(I){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|N<3>,3|C<4>}	123.3190	0.000	1	123.3190	0.000	1	123.3190	0.000	1	122.4618	1.142	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	C[6](C[6]C[6]C)2(Cl){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|C<4>,2|H<1>}	125.1730	1.042	4	124.9220	0.995	6	124.9220	0.995	6	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:Cl-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(Cl)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH)	C[6](C[6]C[6]C)2(Cl){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]Cl)(CCH){1|C<3>,1|H<1>,2|C<4>}	124.4200	0.979	2	124.9220	0.995	6	124.9220	0.995	6	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,2|C<4>}	123.7300	0.000	1	122.9895	0.299	31	123.0003	0.293	36	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,3|C<4>}	122.9649	0.539	30	122.9895	0.299	31	123.0003	0.293	36	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)2(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCH){1|C<3>,1|C<4>,2|H<1>}	122.6790	0.324	2	122.6790	0.105	2	123.0003	0.293	36	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CHH){1|C<2>,1|C<4>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHO){1|C<2>,1|C<4>,2|C<3>}	123.8130	0.000	1	123.8130	0.000	1	123.0003	0.293	36	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHO)	C[6](C[6]C[6]C)2(H){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHO){1|C<3>,1|C<4>,1|S<4>}	123.0820	0.552	2	123.0820	0.304	2	123.0003	0.293	36	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N[5]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,3|C<4>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCC){1|C<4>,1|N<3>,2|H<1>}	122.5480	0.000	1	122.5480	0.000	1	122.5480	0.000	1	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,1|C<4>,2|H<1>}	119.1930	0.000	1	119.1930	0.000	1	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,2|H<1>}	118.2817	0.554	3	118.2817	0.307	3	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|H<1>}	118.3792	0.243	4	118.1984	0.208	5	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,1|C<4>,2|O<2>}	117.4750	0.000	1	118.1984	0.208	5	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H)	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H){1|C<3>,1|C<4>,2|H<1>}	119.7760	0.000	1	119.7760	0.000	1	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H)	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6]H){1|C<3>,1|C<4>,2|H<1>}	119.3270	0.000	1	119.3270	0.000	1	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	118.9814	0.572	42	118.9696	0.321	44	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	118.7220	0.513	2	118.9696	0.321	44	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CCH)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CCH){1|C<3>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CCH){1|C<3>,2|C<4>}	117.6310	0.385	2	117.6310	0.148	2	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,2|C<4>}	117.4890	0.199	2	117.5403	0.028	3	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]C)2(O){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5]H){1|C<3>,1|H<1>,2|C<4>}	117.6430	0.000	1	117.5403	0.028	3	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[5a]H){1|C<3>,2|C<4>}	117.3530	1.199	3	117.3530	1.438	3	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<2>,1|C<3>,1|C<4>}	118.9480	0.000	1	117.7747	0.274	35	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	117.9705	0.097	2	117.7747	0.274	35	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,1|S<4>}	118.2413	0.128	3	117.7747	0.274	35	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,2|C<4>}	117.4872	0.437	17	117.7747	0.274	35	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<4>,2|C<3>}	118.0201	0.387	7	117.7747	0.274	35	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	118.2740	0.000	1	117.7747	0.274	35	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|H<1>,2|C<4>}	118.1310	0.274	2	117.7747	0.274	35	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O){1|N<4>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,3|C<4>}	C[6](C[6]N[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,3|C<4>}	117.2710	0.552	2	117.7747	0.274	35	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(O)	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]C)2(O){1|O<2>,4|H<1>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>}	118.1240	0.204	2	118.1240	0.041	2	118.3710	0.667	100	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:S-1:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(S)	C[6](C[6]C[6]HH)(C[6]C[6]S)(CCS)	C[6](C[6]C[6]HH)(C[6]C[6]S)(CCS)	C[6](C[6]C[6]C)2(S){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(CCS){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(CCS){1|C<3>,1|C<4>,2|H<1>}	122.0670	0.478	2	122.0670	0.228	2	122.0670	0.228	2	119.8712	5.756	145	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	2:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:C-4:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[5,6,6]C)(C[6]O[6]O)(H)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(CH3)	C[6](O[6]C[5,6,6])(C[6]C[6]H)(O)	C[6](C[6]C[5,6,6]C)(C[6]O[6]O)(H){1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|C<4>,2|H<1>,2|O<2>}	C[6](O[6]C[5,6,6])(C[6]C[6]H)(O){1|O<2>,3|C<4>}	123.3670	0.000	1	123.3670	0.000	1	123.3670	0.000	1	123.3670	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]C)(C[6]O[6]O)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCCH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]H)(O[6]C[6])(O){4|C<4>}	122.8330	0.000	1	122.8330	0.000	1	121.6887	1.554	4	121.6887	1.554	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:2:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(O[6]C[6])(O)	C[6](C[6]C[6]C)(C[6]O[6]O)(H){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(O[6]C[6])(O){1|H<1>,3|C<4>}	121.3073	1.207	3	121.3073	1.458	3	121.6887	1.554	4	121.6887	1.554	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:2:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(N[6]N[6])(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,2|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|S<4>}	C[6](C[6]C[6]H)(N[6]N[6])(CH3){1|S<4>,2|C<4>}	120.3320	0.000	1	120.3320	0.000	1	120.3320	0.000	1	120.3320	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:Br-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]OO)(C[6]C[6]Br)(CHHO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	123.5770	0.000	1	123.5770	0.000	1	123.5770	0.000	1	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:F-1:	C[6]-4:C[6]-3:C-4:	N[6,6]-3:C[6]-3:O-1:	C[6](C[6]N[6,6]O)(C[6]C[6]C)(F)	C[6](C[6]C[6,6]C[6a]C)(C[6]C[6]F)(CF3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]F)(O)	C[6](C[6]N[6,6]O)(C[6]C[6]C)(F){2|C<3>,2|C<4>}	C[6](C[6]C[6,6]C[6a]C)(C[6]C[6]F)(CF3){1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]F)(O){2|C<3>,2|C<4>,2|H<1>}	126.1770	0.000	1	126.1770	0.000	1	126.1770	0.000	1	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[3,6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]H)(CHHN){2|C<3>,3|H<1>}	C[6](C[6]C[3,6]H)(C[6]C[6]H)(H){1|H<1>,3|C<4>}	121.7690	0.000	1	121.7690	0.000	1	121.7690	0.000	1	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Co<10>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Co)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Co<10>,3|C<4>}	122.5950	0.453	2	122.5950	0.205	2	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<10>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<10>,3|C<4>}	122.7147	0.770	20	122.6574	3.334	30	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<7>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<7>,3|C<4>}	122.6820	1.411	2	122.6574	3.334	30	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<7>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<7>,3|C<4>}	122.1050	1.052	2	122.6574	3.334	30	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<8>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<8>,3|C<4>}	125.2403	3.157	3	122.6574	3.334	30	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<8>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Cr<8>,3|C<4>}	120.0443	3.258	3	122.6574	3.334	30	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Fe<10>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Fe<10>,3|C<4>}	123.1816	0.539	8	123.0402	0.315	10	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Fe<10>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Fe)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Fe<10>,3|C<4>}	122.4745	0.005	2	123.0402	0.315	10	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Mo<10>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Mo<10>,3|C<4>}	122.6405	0.315	2	122.7574	0.086	12	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Mo<9>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Mo)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Mo<9>,3|C<4>}	122.7808	0.301	10	122.7574	0.086	12	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CCHH)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<10>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<10>,3|C<4>}	122.3631	0.389	10	122.3631	0.151	10	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<10>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<10>,3|C<4>}	122.7740	0.273	2	122.9466	0.798	10	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<7>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<7>,3|C<4>}	123.0140	0.501	2	122.9466	0.798	10	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<8>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<8>,3|C<4>}	123.2572	1.378	4	122.9466	0.798	10	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<8>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Ru<8>,3|C<4>}	122.4305	0.411	2	122.9466	0.798	10	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<12>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<12>,3|C<4>}	122.9414	0.555	14	122.8630	0.312	38	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<12>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<12>,3|C<4>}	122.0685	0.223	2	122.8630	0.312	38	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<13>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<13>,3|C<4>}	123.1750	0.127	2	122.8630	0.312	38	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<13>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<13>,3|C<4>}	122.7328	0.599	10	122.8630	0.312	38	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<14>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<14>,3|C<4>}	123.0174	0.574	8	122.8630	0.312	38	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<15>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|Zr<15>,3|C<4>}	122.8300	0.187	2	122.8630	0.312	38	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H)	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]N)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(H){4|C<4>}	121.9430	0.000	1	121.9430	0.000	1	122.7632	1.115	113	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]H)(O){1|O<2>,2|C<4>}	123.8220	0.014	2	123.8220	0.000	2	123.1163	0.363	9	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,5|C<3>}	C[6](C[6]C[6]H)2(O){3|C<4>}	122.9982	0.201	4	122.9982	0.040	4	123.1163	0.363	9	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(O){3|C<4>}	123.0950	0.000	1	123.0950	0.000	1	123.1163	0.363	9	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]H)(CHHO){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]H)2(O){3|C<4>}	121.8490	0.000	1	121.8490	0.000	1	123.1163	0.363	9	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|H<1>,1|N<2>,2|C<3>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<4>}	123.4660	0.000	1	123.4660	0.000	1	123.1163	0.363	9	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]H)(H){1|O<2>,3|C<4>}	121.5930	0.000	1	121.5930	0.000	1	121.5930	0.000	1	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CDyHO)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CDyHO){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Br){3|C<4>}	119.8233	0.295	6	119.8233	0.087	6	120.2313	0.305	12	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]H)2(Br){3|C<4>}	120.6392	0.429	6	120.6392	0.184	6	120.2313	0.305	12	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]AgH)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ag<5>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]AgH)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<4>}	120.6450	0.000	1	120.6450	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CaN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<12>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CaN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.4860	0.264	4	121.5295	0.136	6	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CaN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<8>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CaN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.6165	0.668	2	121.5295	0.136	6	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CaO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ca<7>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]CaO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	122.2760	0.257	2	122.2760	0.066	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CoN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Co<5>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CoN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Co<5>,3|C<4>}	121.9860	0.000	1	121.9860	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.4340	0.332	4	121.3897	0.213	7	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<6>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Cr<6>,3|C<4>}	122.1090	0.000	1	121.3897	0.213	7	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<7>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]CrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	120.9415	0.153	2	121.3897	0.213	7	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CDyHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CDyHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	121.5095	1.148	2	121.5095	1.317	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ErN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Er<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ErN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	120.7477	1.184	4	120.7477	1.401	4	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]EuN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Eu<8>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]EuN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.2675	0.221	2	121.2675	0.049	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CGdHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Gd<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CGdHO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	121.2550	0.072	2	121.2550	0.005	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	121.3390	0.000	1	121.3390	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	121.7270	0.000	1	121.7270	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<4>}	119.0820	0.000	1	119.0820	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|C<3>,1|H<1>,4|C<4>}	122.3980	0.000	1	122.3980	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	120.4650	0.000	1	120.4650	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	119.3230	0.000	1	119.3230	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHS)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CHHS){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|O<2>,2|C<4>}	121.8500	0.000	1	121.8500	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HU)(C[6]C[6]H)(CC[5]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<16>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]HU)(C[6]C[6]H)(CC[5]CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	120.2375	0.489	4	120.6142	0.889	5	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HU)(C[6]C[6]H)(CC[5]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<16>,1|C<3>,2|H<1>}	C[6](C[6]C[6]HU)(C[6]C[6]H)(CC[5]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	122.1210	0.000	1	120.6142	0.889	5	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HV)(C[6]C[6]H)(CC[5a]CC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|V<6>,2|H<1>}	C[6](C[6]C[6]HV)(C[6]C[6]H)(CC[5a]CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	120.1875	0.022	2	120.1875	0.000	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<8>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.1010	0.376	2	121.4342	0.370	4	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.7675	0.725	2	121.4342	0.370	4	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	121.9080	0.000	1	121.9080	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	121.5505	0.275	4	121.4455	0.059	11	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	121.4133	0.142	3	121.4455	0.059	11	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Hf<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HfN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	121.3645	0.289	4	121.4455	0.059	11	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Ir2)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Ir2)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	120.3200	0.339	2	120.3200	0.115	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]IrN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]IrN)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ir<7>,2|C<4>}	122.2030	0.014	2	122.2030	0.000	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|La<16>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.4025	1.026	2	121.4025	1.053	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CF3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CF3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	119.6230	0.000	1	119.6230	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	120.4330	0.171	2	120.4330	0.029	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Li<5>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.2130	0.168	2	121.2130	0.028	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Li<5>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]LiN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.7595	0.122	2	121.7595	0.015	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]MgH)(C[6]C[6]H)(CC[6a]2H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Mg<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]MgH)(C[6]C[6]H)(CC[6a]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	121.1970	0.000	1	121.1970	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|U<8>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.3375	0.053	2	121.7516	0.409	18	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<13>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.9731	0.496	10	121.7516	0.409	18	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<14>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.2520	0.793	4	121.7516	0.409	18	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<15>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	122.0570	0.912	2	121.7516	0.409	18	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NY)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Y<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NY)(C[6]C[6]H)(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	123.3360	0.052	2	123.3360	0.003	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5]Li)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Li<6>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]Li)(C[6]C[6]H)(CCCH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]H)2(H){1|Li<6>,3|C<4>}	121.7950	0.000	1	121.7950	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5]Pd)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<6>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]Pd)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Pd<6>,3|C<4>}	121.6030	0.000	1	121.6030	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ru<10>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N[5]Ru)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Ru<10>,3|C<4>}	121.4330	0.000	1	121.4330	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ru<10>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]N[6]H)(H){1|Ru<10>,2|C<4>}	120.8660	0.308	2	120.8660	0.095	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.7490	0.696	4	121.7490	0.485	4	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]NdN)(C[6]C[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	121.4310	0.038	3	121.4310	0.001	3	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.1710	0.344	2	121.6527	0.366	6	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Nd<12>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]NdO)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.8935	0.582	4	121.6527	0.366	6	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NiH)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<6>,1|C<3>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	119.8885	0.334	2	119.8885	0.112	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NiN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NiN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.2290	0.252	2	121.2290	0.063	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]RhP)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Rh<9>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]RhP)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Rh<9>,3|C<4>}	123.4640	0.000	1	123.4640	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]RuC)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ru<7>,1|H<1>,2|C<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]H)(CH3){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<5>,1|Ru<7>,2|C<4>}	121.8935	0.344	2	121.8935	0.119	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ScN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sc<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ScN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.1805	0.245	2	121.1805	0.060	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]SmN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sm<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]SmN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.2080	0.501	2	121.3243	0.102	4	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]SmN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sm<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]SmN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.4405	0.009	2	121.3243	0.102	4	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]SrN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sr<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]SrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.8164	0.422	8	121.8164	0.178	8	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<17>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.0090	0.645	4	121.0090	0.416	4	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ThO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<14>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ThO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.2195	0.368	4	121.2195	0.135	4	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	123.3190	0.000	1	123.3190	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<13>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.3155	0.476	4	121.3155	0.226	4	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<12>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]YbN)(C[6]C[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	121.5425	2.232	2	121.5425	4.983	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.7352	0.303	6	121.7352	0.092	6	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.6785	0.073	2	121.5708	0.218	4	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<7>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.4630	0.776	2	121.5708	0.218	4	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<11>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	121.5585	0.490	4	121.5358	0.157	6	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	121.4905	0.245	2	121.5358	0.157	6	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cr<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.2670	0.049	2	121.2670	0.002	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.2825	0.685	2	121.2825	0.469	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<9>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]Ir)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Ir<9>,3|C<4>}	121.0110	0.000	1	121.0110	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Pd<5>,3|C<4>}	120.8430	0.000	1	120.8430	0.000	1	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]Pt)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]Pt)(C[6]C[6]H)(CCCH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){3|C<4>}	121.1385	0.083	2	121.1385	0.007	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]P[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|H<1>,2|P<4>}	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3){1|Ru<9>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]P[6]H)(H){1|Ru<9>,1|O<2>,2|C<4>}	126.3050	0.140	2	126.3050	0.020	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3)	C[6](C[6]P[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,2|P<4>}	C[6](C[6]P[6]HP)(C[6]C[6]H)(CH3){1|Ru<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]P[6]Si)(C[6]C[6]H)(H){1|Ru<8>,1|O<2>,2|C<4>}	126.1755	0.168	2	126.1755	0.028	2	121.5267	1.087	173	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(NC[6]2V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(NC[6]2V){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<4>}	120.1136	0.202	8	120.6423	3.051	14	120.6423	3.051	14	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(NC[6]2V)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,1|V<9>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(NC[6]2V){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<4>}	121.3472	2.614	6	120.6423	3.051	14	120.6423	3.051	14	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]HfO)(C[6]C[6]H)(PHfCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Hf<13>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HfO)(C[6]C[6]H)(PHfCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	120.0460	0.000	1	120.0460	0.000	1	120.9902	1.032	5	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]LaO)(C[6]C[6]H)(PC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|La<14>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]LaO)(C[6]C[6]H)(PC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	122.4730	0.000	1	122.4730	0.000	1	120.9902	1.032	5	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(PC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Zr<14>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(PC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	121.4530	0.000	1	121.4530	0.000	1	120.9902	1.032	5	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(PZrCC)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Zr<13>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(PZrCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	120.4895	0.566	2	120.4895	0.321	2	120.9902	1.032	5	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(SiC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]N[5a]C[6]H)(C[6]C[6]H)(SiC3){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|Si<4>,1|C<3>,1|C<4>,1|H<1>}	122.4980	0.000	1	122.4980	0.000	1	122.4980	0.000	1	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]DyO)(C[6]C[6]H)(CCHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](N[6]C[6]DyO)(C[6]C[6]H)(CCHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<4>}	120.6065	0.135	2	120.6065	0.018	2	120.5754	0.229	5	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]NdO)(C[6]C[6]H)(CHHP)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Nd<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](N[6]C[6]NdO)(C[6]C[6]H)(CHHP){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|N<4>,2|C<4>}	120.9185	0.319	2	120.9185	0.102	2	120.5754	0.229	5	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	N[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](N[6]C[6]ThO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Th<19>,1|C<4>,1|H<1>,1|O<2>}	C[6](N[6]C[6]ThO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Th<19>,1|N<4>,2|C<4>}	119.8270	0.000	1	119.8270	0.000	1	120.5754	0.229	5	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[5,6,6]-4:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H)	C[6](P[5,6,6]C[5,3x6]P[3,5,6]Au)(C[6]C[6]H)(SiC3)	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H)	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H){1|Au<2>,1|C<4>,1|H<1>,1|P<3>}	C[6](P[5,6,6]C[5,3x6]P[3,5,6]Au)(C[6]C[6]H)(SiC3){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|P<4>}	126.5420	0.000	1	126.5420	0.000	1	125.9063	0.353	3	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[5,6,6]-4:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H)	C[6](P[5,6,6]C[5,3x6]P[3,5,6]Cu)(C[6]C[6]H)(SiC3)	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H)	C[6](C[6]P[5,6,6]Si)(C[6]C[6]H)(H){1|Cu<3>,1|C<4>,1|H<1>,1|P<3>}	C[6](P[5,6,6]C[5,3x6]P[3,5,6]Cu)(C[6]C[6]H)(SiC3){1|H<1>,1|P<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,3x6]H)(C[6]C[6]H)(H){1|Si<4>,1|C<3>,1|C<4>,1|P<4>}	125.5885	0.316	2	125.5885	0.100	2	125.9063	0.353	3	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	P[6]-4:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]P[6]Si)(C[6]C[6]H)(H)	C[6](P[6]C[6]RuO)(C[6]C[6]H)(SiC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]P[6]Si)(C[6]C[6]H)(H){1|Ru<8>,1|O<2>,2|C<4>}	C[6](P[6]C[6]RuO)(C[6]C[6]H)(SiC3){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|H<1>,2|P<4>}	127.9965	0.360	2	127.9965	0.130	2	127.9965	0.130	2	121.9746	2.047	341	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CDyHO)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CDyHO){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)2(NN){1|O<2>,2|C<4>}	120.5887	1.070	3	120.5887	1.145	3	120.5832	0.686	6	120.5832	0.686	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CTbHO)	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|Tb<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TbO)(C[6]C[6]H)(CTbHO){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]H)2(NN){1|O<2>,2|C<4>}	120.5777	0.756	3	120.5777	0.571	3	120.5832	0.686	6	120.5832	0.686	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO){2|C<3>,2|H<1>,3|C<4>}	124.3190	0.000	1	125.1243	0.514	3	125.1243	0.514	3	123.7767	1.802	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO){1|H<1>,2|C<4>,3|C<3>}	125.5270	0.233	2	125.1243	0.514	3	125.1243	0.514	3	123.7767	1.802	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|U<10>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH){1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|C<4>}	122.7660	0.288	4	122.7660	0.083	4	122.7660	0.083	4	123.7767	1.802	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[3,5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,5,6]C)(C[6]C[6]C)(H)	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|P<3>}	C[6](C[3,5,6]C[3,6]N[5,6]P[3,5])(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C[6](C[6]C[3,6]H)(C[6]C[6]H)(CH3){1|P<3>,3|C<4>}	123.0350	0.000	1	123.0350	0.000	1	123.0350	0.000	1	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,6]C)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	C[6](C[3,6]C[3,5,6]C[3,5]H)(C[6]C[6]H)(CH3){1|C<3>,4|C<4>}	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(CH3){4|C<4>}	123.3800	0.000	1	123.3800	0.000	1	123.3800	0.000	1	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[4,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	C[6](C[4,6]C[4,6]C[4]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>,3|C<4>}	C[6](C[6]C[4,6]H)(C[6]C[6]H)(CH3){4|C<4>}	123.4320	0.000	1	123.4320	0.000	1	123.4320	0.000	1	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H)	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6,6]C)(H){1|B<3>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[5,6]C[5,6,6]B[5]H)(C[6]C[6]H)(CH3){1|N<2>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6,6a])(C[6]C[6]H)(CH3){1|N<3>,2|C<3>,3|C<4>}	123.4470	0.000	1	123.4470	0.000	1	123.4470	0.000	1	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]Zr)(C[6]C[6]H)(CHHP)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|Zr<8>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]Zr)(C[6]C[6]H)(CHHP){1|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	123.1620	0.000	1	122.6950	0.436	2	122.9887	0.477	3	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]N[5]Zr)(C[6]C[6]H)(CHHP)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5]Zr)(C[6]C[6]H)(CHHP){1|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	122.2280	0.000	1	122.6950	0.436	2	122.9887	0.477	3	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<4>}	123.5760	0.000	1	123.5760	0.000	1	122.9887	0.477	3	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CHHO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CHHO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]H)(CCCH){2|H<1>,5|C<4>}	123.0840	0.000	1	123.0840	0.000	1	123.0840	0.000	1	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]H)2(CH3){1|O<1>,2|C<4>}	122.8740	0.197	2	122.8740	0.039	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ce<14>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	125.1170	0.042	2	124.3763	0.230	9	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ce<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<4>}	124.1647	0.266	7	124.3763	0.230	9	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Ce<11>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]H)2(CH3){1|P<4>,2|C<4>}	124.5240	0.360	3	124.5240	0.129	3	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CCeHN)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ce<14>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CCeHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	121.7650	0.229	2	121.7650	0.052	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Cr2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){2|Cr<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cr2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	121.8230	0.269	4	121.8230	0.073	4	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Cu2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){2|Cu<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cu2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	121.2956	1.166	14	121.2956	1.359	14	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CuB)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Cu<6>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CuB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Cu<6>,3|C<4>}	122.6080	0.000	1	122.6080	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Dy<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	122.0853	0.035	3	122.0853	0.001	3	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(CH3){1|O<2>,2|C<4>}	121.4030	0.000	1	121.5470	0.041	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Dy<15>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]DyO)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]H)2(CH3){1|Dy<15>,1|O<3>,2|C<4>}	121.6910	0.000	1	121.5470	0.041	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ErO)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Er<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ErO)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	121.9350	0.433	3	121.9350	0.188	3	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]EuO)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Eu<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]EuO)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]H)2(CH3){1|O<3>,2|C<4>}	122.3140	0.570	2	122.3140	0.325	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){2|Fe<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Fe2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	121.2678	0.268	4	121.2678	0.072	4	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]FeSi)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Fe<10>,1|Si<5>,1|C<4>,1|H<1>}	C[6](C[6]C[6]FeSi)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Fe<10>,3|C<4>}	122.7120	0.000	1	122.7120	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Gd<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	121.8213	0.176	3	121.8213	0.031	3	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Gd<17>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]GdO)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]H)2(CH3){1|Gd<17>,1|O<3>,2|C<4>}	122.2265	0.395	2	122.2265	0.156	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	123.0980	0.522	2	123.0980	0.272	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]HP)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	123.7385	0.081	2	123.7385	0.007	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HU)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|U<17>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]HU)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|N<3>,2|C<4>}	121.4820	0.000	1	121.2190	0.138	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HU)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|U<17>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HU)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|N<3>,2|C<4>}	120.9560	0.000	1	121.2190	0.138	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HoN)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ho<14>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HoN)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	C[6](C[6]C[6]H)2(CC3){1|Ho<14>,1|C<5>,2|C<4>}	124.0240	0.000	1	124.2155	0.073	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]HoN)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ho<15>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HoN)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	C[6](C[6]C[6]H)2(CC3){1|Ho<15>,1|C<5>,2|C<4>}	124.4070	0.000	1	124.2155	0.073	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|La<22>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]LaN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|C<5>}	C[6](C[6]C[6]H)2(CH3){1|La<22>,1|C<5>,2|C<4>}	122.6450	0.000	1	122.6450	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CF3)	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)2(H){2|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CF3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CF3){3|C<4>}	118.7245	0.161	4	118.7245	0.026	4	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Li<3>,1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	121.5440	0.314	2	121.5440	0.099	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Li<3>,1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Li2)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	120.7655	0.098	2	120.7655	0.010	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]LuN)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Lu<14>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]LuN)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	C[6](C[6]C[6]H)2(CC3){1|Lu<14>,1|C<5>,2|C<4>}	124.1480	0.000	1	124.1480	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]LuO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Lu<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]LuO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	122.6250	0.358	2	122.6250	0.128	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Mn2)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){2|Mn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Mn2)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	119.9398	1.304	4	119.9398	1.701	4	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|U<16>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	124.2240	0.280	2	124.2240	0.078	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|U<13>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	121.3250	1.628	2	121.7428	1.530	6	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NU)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|U<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NU)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	121.9518	1.222	4	121.7428	1.530	6	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NV)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>,1|V<5>}	C[6](C[6]C[6]NV)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	122.2250	0.023	3	122.2250	0.001	3	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NV)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>,1|V<7>}	C[6](C[6]C[6]NV)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	122.2060	0.304	2	122.2060	0.092	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NY)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Y<14>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NY)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|C<5>}	C[6](C[6]C[6]H)2(CC3){1|Y<14>,1|C<5>,2|C<4>}	124.0810	0.000	1	124.0810	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]N[5]Ru)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5]Ru)(C[6]C[6]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|Ru<6>,3|C<4>}	121.2450	0.000	1	121.2450	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NiB)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]NiB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	122.2885	0.309	2	122.1320	0.121	3	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NiB)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]NiB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Ni<5>,3|C<4>}	121.8190	0.000	1	122.1320	0.121	3	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NiH)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|C<4>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|Ni<5>,1|C<3>,2|C<4>}	122.0450	0.000	1	122.0450	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|O<2>,1|U<9>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CC3){1|N<3>,1|U<9>,2|C<4>}	124.8590	0.000	1	124.3685	0.481	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|U<16>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CC3){1|U<16>,1|N<3>,2|C<4>}	123.8780	0.000	1	124.3685	0.481	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|U<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|P<4>}	C[6](C[6]C[6]H)2(CH3){1|P<4>,2|C<4>}	124.8860	0.000	1	124.8860	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	123.3534	0.917	14	123.3534	0.841	14	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	122.6992	0.560	6	122.6992	0.314	6	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	124.1490	0.000	1	124.1490	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	122.3350	0.000	1	122.3350	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	122.4875	1.341	2	122.4875	1.799	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	121.7390	0.000	1	121.7390	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	122.3199	1.104	14	122.3199	1.219	14	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<9>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	122.7706	1.028	8	122.5147	1.118	10	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CHHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	121.4910	0.187	2	122.5147	1.118	10	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(CN[6]HH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(CN[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	122.1120	0.000	1	122.1120	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<7>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	123.9645	0.241	2	124.2165	0.071	6	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<7>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	124.4605	0.087	2	124.2165	0.071	6	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	124.2245	0.213	2	124.2165	0.071	6	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<5>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	122.5485	0.275	2	122.8220	0.187	4	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	123.0955	0.432	2	122.8220	0.187	4	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|O<2>,1|W<8>}	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3){1|C<3>,2|C<4>}	121.8215	1.201	2	121.8215	1.443	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|W<14>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OW)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CC3){1|W<14>,1|N<3>,2|C<4>}	123.0605	0.235	4	123.0605	0.055	4	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OY)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Y<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OY)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	123.7085	0.394	2	123.7085	0.155	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OY)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Y<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]OY)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]H)2(CH3){1|O<3>,2|C<4>}	122.2620	0.000	1	122.3045	0.004	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]OY)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Y<15>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]OY)(C[6]C[6]H)(CHHN){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]H)2(CH3){1|Y<15>,1|O<3>,2|C<4>}	122.3470	0.000	1	122.3045	0.004	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]PdB)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Pd<5>,1|B<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PdB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Pd<5>,3|C<4>}	122.9460	0.000	1	123.5193	0.252	3	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]PdB)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Pd<6>,1|B<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PdB)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,3|C<4>}	123.8060	0.106	2	123.5193	0.252	3	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Pd<5>,1|H<1>,2|C<4>}	C[6](C[6]C[6]PdC)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Pd<5>,3|C<4>}	122.3360	0.000	1	122.3360	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Pd<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,3|C<4>}	121.6330	0.000	1	121.6330	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]RuO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ru<10>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]RuO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)2(CC3){1|Ru<10>,1|O<2>,2|C<4>}	125.0755	0.736	2	125.0755	0.542	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Sm<6>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	122.9350	0.000	1	122.9350	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Sm<6>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]SmO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	121.0670	0.000	1	121.0670	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TaN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Ta<7>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TaN)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	122.1160	0.427	2	122.1160	0.182	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TaO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ta<13>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TaO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CC3){1|Ta<13>,1|N<3>,2|C<4>}	123.6650	0.000	1	123.7624	0.025	7	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TaO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ta<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TaO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	123.7787	0.167	6	123.7624	0.025	7	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Th<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|C<5>}	C[6](C[6]C[6]H)2(CH3){1|C<5>,2|C<4>}	122.6570	0.000	1	122.5700	0.478	7	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Th<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	122.5555	0.756	6	122.5700	0.478	7	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ti<10>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CC3){1|Ti<10>,1|N<3>,2|C<4>}	122.5975	0.319	2	123.8559	0.497	11	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ti<11>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	124.4320	0.054	4	123.8559	0.497	11	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ti<13>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]H)2(CC3){1|Ti<13>,1|O<3>,2|C<4>}	123.9010	0.344	4	123.8559	0.497	11	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ti<9>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<3>}	C[6](C[6]C[6]H)2(CC3){1|Ti<9>,1|O<3>,2|C<4>}	123.8880	0.000	1	123.8559	0.497	11	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	123.8145	1.700	4	123.8145	2.891	4	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	122.6755	0.269	2	122.7733	0.258	4	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	122.8710	0.815	2	122.7733	0.258	4	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Ti<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]TiO)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	122.2485	0.042	2	122.2485	0.002	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Yb<14>,1|C<4>,1|H<1>,1|O<3>}	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CC3){1|Yb<14>,1|N<3>,2|C<4>}	123.7100	0.137	2	123.7100	0.019	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Yb<10>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]YbO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	122.8415	0.127	2	122.8415	0.016	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Zr<14>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]ZrH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]H)2(CH3){1|Zr<14>,1|N<3>,2|C<4>}	121.3230	0.000	1	121.3230	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Zr<10>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|C<5>}	C[6](C[6]C[6]H)2(CH3){1|Zr<10>,1|C<5>,2|C<4>}	123.1150	0.000	1	123.1150	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Zr<13>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	125.0030	0.000	2	125.0538	0.571	5	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	126.3180	0.000	1	125.0538	0.571	5	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Zr<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	124.4725	0.057	2	125.0538	0.571	5	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Zr<10>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	124.1910	0.000	1	123.8306	0.459	5	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]H)2(CH3){1|S<3>,2|C<4>}	124.2010	0.482	2	123.8306	0.459	5	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Zr<14>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	123.2800	0.771	2	123.8306	0.459	5	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]3)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]3){1|C<3>,1|C<4>,1|C<5>}	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<4>}	123.4210	0.000	1	123.4210	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]HH)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	121.3945	1.828	2	121.3945	3.341	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]C)2(H){1|Cr<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]Cr)(C[6]C[6]H)(CCCH){2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CCCH){3|C<4>}	122.0950	0.339	2	122.0950	0.115	2	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]H)(CH3){2|C<4>,4|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,3|C<4>}	122.7600	0.000	1	122.7600	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,3|C<4>}	121.8910	0.000	1	121.8910	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]C)2(H){1|Pd<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH){2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CCCH){3|C<4>}	122.3721	0.220	22	122.3573	0.051	23	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]C)2(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH){2|C<4>,3|C<3>}	C[6](C[6]C[6]H)2(CCCH){1|Pd<5>,3|C<4>}	122.0310	0.000	1	122.3573	0.051	23	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]C)2(H){1|Pd<4>,3|C<3>}	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6]H)(CCCH){2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){2|C<3>,3|C<4>}	122.7350	0.000	1	122.7350	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(H){1|C<4>,1|N<4>,2|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,3|C<4>}	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){4|C<4>}	119.9360	0.000	1	119.9360	0.000	1	122.6641	1.761	265	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]OV)(C[6]C[6]H)(NCCV)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	C[6](C[6]C[6]OV)(C[6]C[6]H)(NCCV){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<4>}	121.1090	0.000	1	121.1090	0.000	1	121.1090	0.000	1	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:P-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]NY)(C[6]C[6]H)(PCCY)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Y<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]NY)(C[6]C[6]H)(PCCY){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	122.0920	0.000	1	122.0920	0.000	1	121.5162	0.308	6	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:P-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]OU)(C[6]C[6]H)(PC[6a]2U)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|U<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]OU)(C[6]C[6]H)(PC[6a]2U){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|P<4>,2|C<4>}	120.5600	0.000	1	120.5600	0.000	1	121.5162	0.308	6	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:P-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]ScN)(C[6]C[6]H)(PScCC)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Sc<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ScN)(C[6]C[6]H)(PScCC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	121.3180	0.000	1	121.3180	0.000	1	121.5162	0.308	6	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:P-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]TiN)(C[6]C[6]H)(PTiCC)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Ti<7>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]H)(PTiCC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	121.7090	0.270	3	121.7090	0.073	3	121.5162	0.308	6	122.6483	1.721	280	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:Br-1:	C[6,6]-4:C[6]-3:C-4:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6,6]C)(Br)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]Br)(O)	C[6](C[6]C[3,6]O)(C[6]C[6,6]C)(Br){2|C<4>,3|O<2>}	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]Br)(CHHO){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]Br)(O){1|H<1>,2|C<4>}	125.3430	0.000	1	125.3430	0.000	1	125.3430	0.000	1	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]C)(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(CH3)	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	121.2273	0.542	3	121.2273	0.294	3	121.2273	0.294	3	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|O<2>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]H)(O){2|H<1>,2|O<2>,3|C<4>}	121.2980	0.000	1	121.2980	0.000	1	121.2980	0.000	1	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]H)(O){1|H<1>,2|C<3>,3|C<4>}	123.2430	0.000	1	123.2430	0.000	1	123.5355	0.279	4	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]H)(CH3){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	123.3585	0.520	2	123.3585	0.270	2	123.5355	0.279	4	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	124.1820	0.000	1	124.1820	0.000	1	123.5355	0.279	4	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[4,6]-4:C[6]-3:O-1:	C[6](C[6]C[4,6]O)(C[6]C[6,6]C)(H)	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3)	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]H)(O)	C[6](C[6]C[4,6]O)(C[6]C[6,6]C)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[4,6,6]O[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[4,6]C[4,6,6]C[4]H)(C[6]C[6]H)(O){1|C<3>,2|C<4>,3|H<1>}	125.4880	0.000	1	125.4880	0.000	1	125.4880	0.000	1	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	123.6160	0.000	1	123.6160	0.000	1	123.1383	2.363	3	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O){4|C<4>}	124.3800	0.000	1	122.8995	4.384	2	123.1383	2.363	3	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(O){4|C<4>}	121.4190	0.000	1	122.8995	4.384	2	123.1383	2.363	3	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]H)(O){7|C<4>}	123.8860	0.000	1	123.8860	0.000	1	123.6474	0.535	5	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){2|C<3>,2|H<1>,3|C<4>}	122.4270	0.000	1	122.4270	0.000	1	123.6474	0.535	5	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]H)(O){1|C<3>,1|H<1>,5|C<4>}	123.9747	0.369	3	123.9747	0.136	3	123.6474	0.535	5	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(H){2|C<4>,2|H<1>}	125.0610	0.000	1	125.0610	0.000	1	125.0610	0.000	1	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	123.3290	0.042	2	123.3290	0.002	2	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HS)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|S<4>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HS)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	124.6320	0.000	1	124.6320	0.000	1	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	124.3030	0.000	1	123.3484	0.308	5	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){4|C<4>}	123.1097	0.175	4	123.3484	0.308	5	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){4|C<4>}	123.3140	0.000	1	123.3140	0.000	1	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.6920	0.000	1	123.6920	0.000	1	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CCHH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	122.7377	0.058	3	122.7377	0.003	3	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CC[5]CH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.2515	0.808	2	123.2515	0.653	2	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]2H)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]H)(O){1|C<3>,3|C<4>,3|H<1>}	124.0160	0.000	1	124.0160	0.000	1	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.7160	0.000	1	123.7160	0.000	1	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){1|C<3>,1|H<1>,2|C<4>}	123.2510	0.000	1	122.9060	0.133	6	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<3>,2|C<4>}	122.7357	0.458	3	122.9060	0.133	6	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){4|C<4>}	122.9890	0.161	2	122.9060	0.133	6	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	122.8900	0.000	1	122.8900	0.000	1	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]FH)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|F<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]FH)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	123.7445	0.607	2	123.7445	0.369	2	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]HO)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HO)(C[6]C[6]H)(O){1|H<1>,1|O<2>,2|C<4>}	123.2620	0.000	1	123.2620	0.000	1	123.2801	0.307	27	123.2876	1.026	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(CCHH){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	124.0220	0.000	1	124.0220	0.000	1	123.6617	0.446	4	123.6617	0.446	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]H)(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CH)(C[6]C[6]H)(NN){1|C<3>,1|H<1>,2|C<4>}	123.7440	0.000	1	123.7440	0.000	1	123.6617	0.446	4	123.6617	0.446	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]H)(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(CH3){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]H)(NN){2|C<4>,2|H<1>}	123.4405	1.050	2	123.4405	1.103	2	123.6617	0.446	4	123.6617	0.446	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(H)	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,3|H<1>}	C[6](C[6]N[6]CH)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]H)(CHH){1|S<4>,2|C<4>}	123.5340	0.140	2	123.5340	0.020	2	123.5340	0.020	2	123.5340	0.020	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:4:	4:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6]Yb)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]YbH)(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]C)2(H){1|Yb<13>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]Yb)(C[6]C[6]H)(CCCH){2|C<3>,3|C<4>}	C[6](C[6]C[6]YbH)(C[6]C[6]H)(CCCH){3|C<4>}	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	122.7160	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:5:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-5:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CCeHHN)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Ce<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CeO)(C[6]C[6]H)(CCeHHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<4>}	121.7136	0.296	8	121.7136	0.087	8	121.9412	0.298	10	121.9412	0.298	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:5:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-5:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CThH3)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){1|Th<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ThN)(C[6]C[6]H)(CThH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|C<5>,2|C<4>}	122.8630	0.000	1	122.8630	0.000	1	121.9412	0.298	10	121.9412	0.298	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:3:5:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-5:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CZrHHN)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]ZrO)(C[6]C[6]H)(CZrHHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<4>}	122.8400	0.000	1	122.8400	0.000	1	121.9412	0.298	10	121.9412	0.298	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](BC[6a]2C[6])(C[6]C[6]DyH)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|Dy<16>,1|C<4>,1|H<1>,1|H<2>}	C[6](BC[6a]2C[6])(C[6]C[6]DyH)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Dy<16>,1|B<4>,1|C<4>,1|H<1>}	122.4065	0.702	4	122.4065	0.493	4	122.4145	0.320	8	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](BC[6a]2C[6])(C[6]C[6]TbH)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|Tb<16>,1|C<4>,1|H<1>,1|H<2>}	C[6](BC[6a]2C[6])(C[6]C[6]TbH)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Tb<16>,1|B<4>,1|C<4>,1|H<1>}	122.4225	0.503	4	122.4225	0.253	4	122.4145	0.320	8	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3,6]-4:C-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[3,6]C)(C[6]C[6]O)(H)	C[6](C[3,6]C[3]C[6]O[3])(CC[5,6]HH)(C[6]C[6]H)	C[6](C[6]C[6]H)2(O)	C[6](C[6]C[3,6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[3,6]C[3]C[6]O[3])(CC[5,6]HH)(C[6]C[6]H){1|C<3>,1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]H)2(O){1|H<1>,2|C<4>}	123.4080	0.000	1	123.4080	0.000	1	123.4080	0.000	1	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,2|C<4>,4|H<1>}	C[6](C[5]C[5]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	120.6410	0.000	1	120.6410	0.000	1	120.6410	0.000	1	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-4:C[5]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C[5])(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[6]Zr)(C[5]C[5,5]C[5]Zr)(C[6]C[6]H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[5])(C[6]C[6]H)(H){1|Zr<11>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]N[6]Zr)(C[5]C[5,5]C[5]Zr)(C[6]C[6]H){1|C<3>,1|C<5>,1|H<1>,1|S<2>,4|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){3|C<4>}	119.5180	0.000	1	119.5180	0.000	1	119.5180	0.000	1	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2Pr)(C[6]C[6]PrO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pr<17>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]2Pr)(C[6]C[6]PrO)(C[6]C[6]H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	119.8480	0.000	1	120.3385	0.481	2	120.4776	0.652	5	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2Pr)(C[6]C[6]PrO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Pr<17>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]2Pr)(C[6]C[6]PrO)(C[6]C[6]H){1|C<4>,1|H<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	120.8290	0.000	1	120.3385	0.481	2	120.4776	0.652	5	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2Th)(C[6]C[6]ThO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Th<12>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]2Th)(C[6]C[6]ThO)(C[6]C[6]H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6]H)2(H){1|C<3>,2|C<4>}	120.4130	0.000	1	120.4130	0.000	1	120.4776	0.652	5	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<4>,1|O<2>,1|S<2>,1|S<3>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]S[6]2H)(C[6]C[6]H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|O<2>,2|C<4>}	121.6550	0.000	1	121.6550	0.000	1	120.4776	0.652	5	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]LiNi)(C[6]C[6]2Li)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Li<5>,1|Ni<7>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]LiNi)(C[6]C[6]2Li)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,2|C<4>}	119.6430	0.000	1	119.6430	0.000	1	120.4776	0.652	5	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]HH)(PC[6a]2Ru)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(PC[6a]2Ru)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	119.9870	0.000	1	119.9870	0.000	1	121.2020	1.071	5	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]HH)(PC[6a]AgC)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(PC[6a]AgC)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	120.8080	0.221	2	120.8080	0.049	2	121.2020	1.071	5	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-4:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]HH)(PC[6a]RhC)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(PC[6a]RhC)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|P<4>}	122.2035	0.667	2	122.2035	0.445	2	121.2020	1.071	5	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	N-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](NC[6a]C[6]W)(C[6]C[6]OW)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|W<10>,1|C<3>,1|H<1>,1|O<2>}	C[6](NC[6a]C[6]W)(C[6]C[6]OW)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<4>,1|H<1>,1|N<4>}	119.6480	0.619	2	119.6480	0.384	2	119.6480	0.384	2	121.3294	1.653	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](CC[6a]C[6]H)(C[6]C[6]OV)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<7>}	C[6](CC[6a]C[6]H)(C[6]C[6]OV)(C[6]C[6]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	122.0285	0.042	2	122.0285	0.002	2	122.0285	0.002	2	122.2530	2.851	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]DyO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Dy<12>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]DyO)(C[6]C[6]H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	124.0423	0.114	3	124.0423	0.013	3	123.8218	0.184	11	122.2530	2.851	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]ErO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Er<12>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]ErO)(C[6]C[6]H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	123.7453	0.415	3	123.7453	0.172	3	123.8218	0.184	11	122.2530	2.851	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]GdO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Gd<12>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]GdO)(C[6]C[6]H){1|C<3>,5|C<4>,6|H<1>}	C[6](C[6]C[6]H)2(CH3){3|C<4>}	123.5430	0.509	3	123.5430	0.259	3	123.8218	0.184	11	122.2530	2.851	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[6]TiO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[6,6]3)(C[6]C[6]TiO)(C[6]C[6]H){2|C<3>,4|C<4>,6|H<1>}	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	124.0240	0.686	2	124.0240	0.470	2	123.8218	0.184	11	122.2530	2.851	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6]C[5]Ti)(C[6]C[6]TiO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Ti<11>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5]C[5,6]C[5]Ti)(C[6]C[6]TiO)(C[6]C[6]H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	119.5300	0.000	2	119.7895	0.090	4	120.4649	0.827	7	122.2530	2.851	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6]C[5]Ti)(C[6]C[6]TiO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Ti<11>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5]C[5,6]C[5]Ti)(C[6]C[6]TiO)(C[6]C[6]H){2|C<3>,5|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	120.0490	0.000	2	119.7895	0.090	4	120.4649	0.827	7	122.2530	2.851	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6]C[5]Zr)(C[6]C[6]ZrO)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Zr<13>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5]C[5,6]C[5]Zr)(C[6]C[6]ZrO)(C[6]C[6]H){1|H<1>,2|C<3>,4|C<4>}	C[6](C[6]C[6]H)2(CC3){3|C<4>}	121.0960	0.000	2	121.0960	0.000	2	120.4649	0.827	7	122.2530	2.851	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[5]N[5a]N[5]2)(C[6]C[6]CH)(C[6]C[6]H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<4>}	121.9040	0.000	1	121.9040	0.000	1	120.4649	0.827	7	122.2530	2.851	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-4:P-4:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]CeO)(PC[6a]2Ce)(C[6]C[6]H)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Ce<11>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CeO)(PC[6a]2Ce)(C[6]C[6]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]H)2(CH3){1|P<4>,2|C<4>}	120.8223	0.338	3	120.8223	0.114	3	120.8223	0.114	3	122.2530	2.851	23	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[3x6]-4:C[5]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]C[5])(C[6]C[6]O)(H)	C[6](C[3x6]C[3x6]2H)(C[5]C[5]2C)(C[6]C[6]H)	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O)	C[6](C[6]C[3x6]C[5])(C[6]C[6]O)(H){1|H<1>,1|O<2>,6|C<4>}	C[6](C[3x6]C[3x6]2H)(C[5]C[5]2C)(C[6]C[6]H){1|O<1>,2|C<3>,4|H<1>,6|C<4>}	C[6](C[6]C[3x6]CO)(C[6]C[6]H)(O){1|H<1>,3|C<4>}	122.2850	0.000	1	122.2850	0.000	1	122.2850	0.000	1	122.1296	2.192	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H)	C[6](C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	C[6](C[4]C[4]2H)(C[6]C[6]HH)(C[6]C[6]H){1|C<3>,1|O<1>,2|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){2|C<4>,2|H<1>}	123.6190	0.000	1	123.6190	0.000	1	123.3120	0.188	2	122.1296	2.192	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[4]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H)	C[6](C[4]C[4]2O)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[4]C[6])(C[6]C[6]O)(H){1|O<2>,3|C<4>,4|H<1>}	C[6](C[4]C[4]2O)(C[6]C[6]HH)(C[6]C[6]H){1|O<1>,4|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){4|C<4>}	123.0050	0.000	1	123.0050	0.000	1	123.3120	0.188	2	122.1296	2.192	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]O)(H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6])(C[6]C[5,6]O)(H){1|O<2>,3|H<1>,4|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]H){1|O<1>,1|O<2>,3|H<1>,6|C<4>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6]H)(O){2|H<1>,3|C<4>}	119.7330	0.000	1	119.7330	0.000	1	119.7330	0.000	1	122.1296	2.192	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(H)	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6]C[6]HH)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(H){3|C<4>,5|H<1>}	C[6](C[5,6]C[3,5,6]C[5,6,6]H)(C[6]C[6]HH)(C[6]C[6]H){1|H<1>,1|O<1>,3|C<3>,5|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]H)(O){4|C<4>}	122.0060	0.000	1	122.0060	0.000	1	122.0060	0.000	1	122.1296	2.192	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-5:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]B[6]Li2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|Li<7>,1|B<5>,1|C<5>,1|H<1>}	C[6](C[6,6]C[6,6]B[6]Li2)(C[6]C[6]H)(H){1|B<5>,1|C<5>,1|H<1>,2|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|Li<7>,1|B<5>,1|C<5>,1|H<1>}	120.0085	0.305	2	120.1183	0.052	6	120.1183	0.052	6	119.9807	0.131	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6,6]-5:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6,6]C[6,6]B[6]Li2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|Li<8>,1|B<5>,1|C<5>,1|H<1>}	C[6](C[6,6]C[6,6]B[6]Li2)(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]H)(H){2|Li<8>,1|B<5>,1|C<5>,1|H<1>}	120.1732	0.207	4	120.1183	0.052	6	120.1183	0.052	6	119.9807	0.131	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ru3)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){1|Ru<5>,2|Ru<6>,1|C<5>,1|H<1>}	C[6](C[6]C[6]Ru3)(C[6]C[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){3|Ru<6>,1|C<5>,1|H<1>}	120.0090	0.202	2	119.7742	0.214	4	119.7742	0.214	4	119.9807	0.131	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:1:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Ru3)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)2(H){3|Ru<6>,1|C<5>,1|H<1>}	C[6](C[6]C[6]Ru3)(C[6]C[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Ru<5>,2|Ru<6>,1|C<5>,1|H<1>}	119.5395	0.616	2	119.7742	0.214	4	119.7742	0.214	4	119.9807	0.131	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C-5:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(H)	C[6](CC[6a]C[6]ReO)(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(H){1|Re<7>,1|C<3>,1|H<1>}	C[6](CC[6a]C[6]ReO)(N[6]C[6]Re)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	118.3715	0.045	2	118.3715	0.002	2	118.3715	0.002	2	119.6354	0.884	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x3,3x5,12x6]-5:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H)	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H){1|B<5>,1|C<3>,1|C<5>,2|B<6>,2|H<1>}	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(C[6]C[6]H)(N[6]C[6]H){1|B<5>,1|C<3>,4|B<6>,6|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	121.2270	0.000	1	121.2270	0.000	1	121.2270	0.000	1	119.6354	0.884	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x3,3x5,12x6]-5:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H)	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3x3,3x5,12x6]N[6])(C[6]C[6]H)(H){1|Ir<7>,1|C<3>,1|C<5>,1|H<1>,3|B<6>}	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]B[5x3,3x5,11x6]2C[3x3,3x5,12x6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|H<2>,5|B<6>,5|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	119.2350	0.000	1	119.2350	0.000	1	119.2350	0.000	1	119.6354	0.884	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5,6]H)(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]N[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H)	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,4|B<6>}	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]N[5,6]H)(C[6]C[6]H){1|B<4>,1|C<3>,1|C<5>,5|B<6>,5|H<1>}	C[6](C[5,6]C[5,5a]N[5,6])(C[6]C[6]H)(H){1|B<4>,1|C<5>,1|S<2>,2|C<3>}	120.3110	0.000	1	120.3110	0.000	1	120.3110	0.000	1	119.6354	0.884	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]N[6]H)(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H)	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,4|B<6>}	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2{1|C<3>,1|C<5>,1|N<3>,5|B<6>,5|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]H)(H){1|C<5>,2|C<3>}	119.8113	0.629	3	119.8113	0.395	3	119.8113	0.395	3	119.6354	0.884	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x3,4,3x5,14x6]-5:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x3,4,3x5,14x6]N[6])(C[6]C[6]H)(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[3x3,4,3x5,14x6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,4|B<6>}	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,1|C<5>,5|B<6>,6|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,1|H<1>,1|N<3>}	122.1590	0.000	1	122.1590	0.000	1	122.1590	0.000	1	119.6354	0.884	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	P-5:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]P)(H)	C[6](PC[6a]2FF)(C[6]C[6]H)(N[6]C[6]C)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]H)(C[6]N[6]P)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](PC[6a]2FF)(C[6]C[6]H)(N[6]C[6]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|H<1>,1|N<3>,1|P<5>}	120.4210	0.000	1	120.4210	0.000	1	120.4210	0.000	1	119.6354	0.884	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si-5:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6]PtCO)(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Pt<7>,1|C<3>,1|H<1>}	C[6](SiC[6]PtCO)(N[6]C[6]Pt)(C[6]C[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<5>,1|H<1>,1|N<3>}	119.3148	0.472	8	119.3148	0.223	8	119.3179	0.174	10	119.6354	0.884	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	Si-5:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]C[6]2Cu)(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]N[6]Si)(C[6]C[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](SiC[6a]C[6]2Cu)(N[6]C[6]Cu)(C[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Si<5>,1|C<4>,1|N<3>}	119.3305	0.066	2	119.3305	0.004	2	119.3179	0.174	10	119.6354	0.884	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	C[5a]-3:N[6]-3:C[6]-3:	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5a]N[6])(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5a]N[6])(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>,4|B<6>}	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2{1|C<3>,1|C<5>,1|N<3>,5|B<6>,5|H<1>}	C[6](C[5a]C[5a]S[5a])(N[6]C[6]Ir)(C[6]C[6]H){1|C<5>,1|H<1>,3|C<3>}	121.0895	0.460	2	121.0895	0.212	2	121.0895	0.212	2	120.7483	0.455	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:3:	C[6]-3:C[6]-3:H-1:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[6]N[6])(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>,4|B<6>}	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2{1|C<3>,1|C<5>,1|N<3>,5|B<6>,5|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<5>,2|H<1>,3|C<3>}	120.0660	0.000	1	120.0660	0.000	1	120.0660	0.000	1	120.7483	0.455	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Dy2O)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){2|Dy<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]Dy2O)(C[6]C[6]H)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<3>}	123.0725	0.258	2	123.0725	0.067	2	122.9274	0.148	8	122.9274	0.148	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Ho2O)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){2|Ho<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]Ho2O)(C[6]C[6]H)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<3>}	122.4025	0.308	2	122.4025	0.095	2	122.9274	0.148	8	122.9274	0.148	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Tb2O)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H){2|Tb<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]Tb2O)(C[6]C[6]H)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<3>}	122.9760	0.081	2	122.9760	0.006	2	122.9274	0.148	8	122.9274	0.148	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]Tb2O)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H){2|Tb<14>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]Tb2O)(C[6]C[6]H)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)2(CH3){1|C<5>,2|C<3>}	123.2585	0.220	2	123.2585	0.048	2	122.9274	0.148	8	122.9274	0.148	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Dy2O)(C[6]C[6]H)(CDyHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Dy<16>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]Dy2O)(C[6]C[6]H)(CDyHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,2|C<4>}	121.5350	0.720	2	121.5350	0.518	2	121.5323	0.176	4	121.5914	0.149	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]Gd2O)(C[6]C[6]H)(CGdHO)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Gd<16>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]Gd2O)(C[6]C[6]H)(CGdHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|C<5>,2|C<4>}	121.5295	0.093	2	121.5295	0.009	2	121.5323	0.176	4	121.5914	0.149	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	5:3:4:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[6]-5:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]Li2S)(C[6]C[6]H)(SiC3)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){2|Li<5>,1|C<5>,1|H<1>,1|S<3>}	C[6](C[6]C[6]Li2S)(C[6]C[6]H)(SiC3){1|Li<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)2(H){1|Li<3>,1|Si<4>,2|Li<5>,1|C<5>}	121.8280	0.000	1	121.8280	0.000	1	121.8280	0.000	1	121.5914	0.149	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	6:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	B[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]C)(C[6]C[6]H){1|Ir<8>,1|C<3>,1|C<6>,4|B<6>,7|H<1>}	C[6](C[6]C[6]H)2(H){1|Ir<8>,1|B<6>,1|C<3>,1|H<1>}	122.9270	0.000	1	122.9270	0.000	1	122.9270	0.000	1	120.4977	2.523	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	6:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[3x3,3x5,12x6]-6:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Rh)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<3>,4|B<6>}	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Rh)(C[6]C[6]H)2{1|C<3>,1|C<6>,4|B<6>,6|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>}	121.0750	0.266	2	121.0750	0.071	2	121.0750	0.071	2	120.4977	2.523	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	6:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>,1|N<3>,4|B<6>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,5|B<6>,5|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<6>,1|N<3>,2|C<3>}	119.6100	0.000	1	119.0473	0.798	3	119.0473	0.798	3	120.4977	2.523	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	6:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,4|B<6>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,1|C<4>,5|B<6>,5|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<6>,1|N<3>,2|C<3>}	119.5150	0.000	1	119.0473	0.798	3	119.0473	0.798	3	120.4977	2.523	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	6:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,4|B<6>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,5|B<6>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<6>,1|N<3>,2|C<3>}	118.0170	0.000	1	119.0473	0.798	3	119.0473	0.798	3	120.4977	2.523	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	6:3:3:	3:3:1:	C[6]-3:C[6]-3:H-1:	C[5x3,5x5,20x6]-6:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6]C[6]H)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]H)2(H)	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|C<3>,1|C<6>,1|H<1>,4|B<6>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<3>,5|B<6>,6|H<1>}	C[6](C[6]C[6]H)2(H){1|C<6>,1|H<1>,1|N<3>}	121.2650	0.000	1	121.2650	0.000	1	121.2650	0.000	1	120.4977	2.523	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	6:3:4:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(H)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)(CC3)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6]C[6]H)(CC3)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(H){1|C<6>,1|H<1>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]H)(C[6]C[6]H)(CC3){1|C<4>,1|C<6>,4|B<6>}	129.2495	0.240	2	129.2495	0.057	2	129.2495	0.057	2	129.2495	0.057	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:1:	7:3:3:	3:3:4:	C[6]-3:C[6]-3:H-1:	C[6x3]-7:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6x3]C[6])(C[6]C[6]C)(H)	C[6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]2)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6x3]C[6])(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<7>,4|C<6>}	C[6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]2)(C[6]C[6]H)2{10|H<2>,1|C<3>,2|C<4>,2|H<3>,6|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|C<7>}	122.4180	0.102	2	122.4180	0.010	2	122.4180	0.010	2	122.4180	0.010	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	2:3:3:	3:3:1:	C[6]-3:C[6]-3:C-2:	S[6]-2:C[6]-3:N-3:	N[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]O)(C[6]S[6]N)(CN)	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H)	C[6](N[6]C[4,6]H)(C[6]C[6]C)(O)	C[6](C[6]N[6]O)(C[6]S[6]N)(CN){1|C<4>,1|H<1>}	C[6](S[6]C[4,6])(C[6]C[6]C)(NC[6a]H){1|N<3>,1|O<1>,2|C<4>}	C[6](N[6]C[4,6]H)(C[6]C[6]C)(O){1|N<3>,1|S<2>,2|C<4>}	123.8490	0.000	1	123.8490	0.000	1	123.8490	0.000	1	123.8490	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-2:Cl-1:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)2(NC[6a])	C[6](C[6]C[6]N)(N[6]S[6])(Cl)	C[6](C[6]C[6]N)(N[6]S[6])(Cl)	C[6](C[6]N[6]Cl)2(NC[6a]){1|S<2>}	C[6](C[6]C[6]N)(N[6]S[6])(Cl){1|Cl<1>,1|N<2>}	C[6](C[6]C[6]N)(N[6]S[6])(Cl){1|Cl<1>,1|N<2>}	112.6020	0.000	1	112.6020	0.000	1	112.6020	0.000	1	118.9704	12.847	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(NN)	C[6](C[6]C[6]N)(O[6]C[6])(O)	C[6](C[6]C[6]N)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(NN){1|C<4>}	C[6](C[6]C[6]N)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]N)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	120.5625	0.480	4	120.5625	0.230	4	120.5625	0.230	4	118.9704	12.847	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]C[6])(SRu)	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<2>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]C[6])(SRu){1|C<2>,2|H<1>}	118.5160	0.000	1	118.5160	0.000	1	118.5160	0.000	1	117.9870	0.560	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:1:	3:2:2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:N[6]-2:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(SNi)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]S)(N[6]C[6])(SNi)	C[6](C[6]C[6]H)(C[6]N[6]S)(SNi){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6])(SNi){1|C<2>,2|H<1>}	117.4580	0.000	1	117.4580	0.000	1	117.4580	0.000	1	117.9870	0.560	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]N[6]H)(OH)	C[6](C[6]C[6]O)(N[6]N[6])(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]N[6]H)(OH){1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]N[6])(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(Br){1|N<2>,2|H<1>}	116.6650	0.000	1	116.6650	0.000	1	116.6650	0.000	1	116.6650	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu)	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu){1|C<2>,2|H<1>}	119.7340	0.000	1	119.7340	0.000	1	119.7340	0.000	1	119.7340	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:1:	3:3:4:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(SMo)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(SMo){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(CHHO){1|C<2>,2|H<1>}	118.4530	0.000	1	118.4530	0.000	1	118.4530	0.000	1	118.4530	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6])	C[6](C[6]C[6]O)(C[6]C[6])(CC[6])	C[6](C[6]C[6]C)2(OC){1|C<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]){2|C<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]){2|C<2>}	120.6500	0.692	2	121.4475	1.307	4	121.4475	1.307	4	121.4475	1.307	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6])	C[6](C[6]C[6]O)(C[6]C[6])(CC[6])	C[6](C[6]C[6]C)2(OC){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]){1|P<4>,2|C<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]){1|P<4>,2|C<2>}	122.2450	0.948	2	121.4475	1.307	4	121.4475	1.307	4	121.4475	1.307	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu)	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu){1|C<2>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<2>}	116.0360	0.000	1	116.0360	0.000	1	116.0360	0.000	1	116.0360	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:3:	3:2:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-2:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(NO)	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	C[6](C[6]C[6]N)(N[6]C[6])(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO){1|C<3>}	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(O){1|N<2>,2|N<3>}	116.9270	0.000	1	116.9270	0.000	1	116.9270	0.000	1	116.9270	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)2(NC)	C[6](C[6]C[6]N)(C[6]C[6])(CCC)	C[6](C[6]C[6]N)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)2(NC){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6])(CCC){1|C<2>,1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6])(CCC){1|C<2>,1|C<3>}	121.5410	0.000	1	121.5410	0.000	1	121.5410	0.000	1	121.9147	0.132	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:3:	3:2:3:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)2(SC[6a])	C[6](C[6]C[6]S)(C[6]C[6])(CCC)	C[6](C[6]C[6]S)(C[6]C[6])(CCC)	C[6](C[6]C[6]C)2(SC[6a]){1|C<2>}	C[6](C[6]C[6]S)(C[6]C[6])(CCC){1|C<2>,1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6])(CCC){1|C<2>,1|C<3>}	122.1015	0.233	2	122.1015	0.054	2	122.1015	0.054	2	121.9147	0.132	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:S[6]-2:N-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)(C[6]S[6]N)(CN)	C[6](C[6]C[6]C)(S[6]C[6])(NCH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)(C[6]S[6]N)(CN){1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(S[6]C[6])(NCH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,1|S<2>,2|C<4>}	125.1400	0.000	1	125.1400	0.000	1	125.1400	0.000	1	122.4748	5.775	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-3:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6]S)(C[6]O[6]C)(OH)	C[6](C[6]C[6]O)(O[6]C[6])(CNS)	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(CNS){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<3>,1|H<1>,1|O<2>}	120.4440	0.156	2	120.4440	0.024	2	120.4440	0.024	2	122.4748	5.775	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:S[6]-2:C-3:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6]S)(C[6]S[6]C)(OH)	C[6](C[6]C[6]O)(S[6]C[6])(COO)	C[6](C[6]C[6]N)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]S[6]C)(OH){1|C<3>,1|N<3>}	C[6](C[6]C[6]O)(S[6]C[6])(COO){1|C<3>,1|N<3>,1|S<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(S){1|C<3>,1|N<3>,1|S<2>}	123.8710	0.000	1	123.8710	0.000	1	123.8710	0.000	1	122.4748	5.775	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]C)(C[6]O[6]O)(CC)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]C)(C[6]O[6]O)(CC){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<2>,3|C<4>}	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	119.2890	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:4:	3:2:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)2(OSn)	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)2(OSn){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<4>,2|C<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|C<2>,2|C<4>}	118.7360	0.375	4	118.7360	0.141	4	118.7360	0.141	4	118.7360	0.141	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](C[6]C[6]C)2(OH){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<2>,2|C<4>}	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<2>,2|C<4>}	121.6370	0.000	1	121.6370	0.000	1	120.7003	1.543	3	120.7003	1.543	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2(OSm)	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](C[6]C[6]O)(C[6]C[6])(CC3)	C[6](C[6]C[6]C)2(OSm){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<2>,2|C<4>}	C[6](C[6]C[6]O)(C[6]C[6])(CC3){1|C<2>,2|C<4>}	120.2320	1.331	2	120.2320	1.771	2	120.7003	1.543	3	120.7003	1.543	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6])(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)2(H){1|C<2>,2|C<4>}	121.1490	0.000	1	121.1490	0.000	1	121.1490	0.000	1	121.1936	1.962	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6]S)(C[6]O[6]C)(OGa[5,5])	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]C)(OGa[5,5]){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|O<2>}	118.8440	0.000	1	118.8440	0.000	1	121.2047	2.615	4	121.1936	1.962	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6]S)(C[6]O[6]C)(OH)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|O<2>}	122.2540	0.037	2	122.2540	0.001	2	121.2047	2.615	4	121.1936	1.962	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6]S)(C[6]O[6]C)(OH)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|O<2>}	121.4670	0.000	1	121.4670	0.000	1	121.2047	2.615	4	121.1936	1.962	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-1:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(N)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(N){1|H<1>,2|C<3>}	121.1550	0.000	1	121.1550	0.000	1	121.1550	0.000	1	121.3070	0.018	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:O-1:	N[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](N[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(CN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|N<3>}	C[6](N[6]C[6,6a])(C[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<1>}	121.4040	0.000	1	121.4040	0.000	1	121.4040	0.000	1	121.3070	0.018	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:O-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](O[6]C[6,6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(NN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]N)(O){1|O<1>,2|C<3>}	121.3620	0.000	1	121.3620	0.000	1	121.3620	0.000	1	121.3070	0.018	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:O-2:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6])(C[6]C[6]O)(OC)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<2>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6])(C[6]C[6]O)(OC){1|C<3>,1|C<4>,1|H<1>}	119.7370	0.000	1	119.7370	0.000	1	119.7370	0.000	1	119.7370	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	118.9500	0.000	1	118.9500	0.000	1	117.5910	2.917	3	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(CC){1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,1|H<1>}	115.6740	0.000	1	116.9115	3.063	2	117.5910	2.917	3	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(CC){1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,2|H<1>}	118.1490	0.000	1	116.9115	3.063	2	117.5910	2.917	3	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Co<6>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	120.4670	0.000	1	120.4670	0.000	1	120.4670	0.000	1	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:O-1:	C[6](C[6]N[6]O)2(NN)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]C[6]N)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(NN){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(O){1|N<3>,2|O<1>}	119.4640	0.000	1	119.4640	0.000	1	119.5895	0.032	2	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:O-1:	C[6](C[6]N[6]O)2(NO)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]C[6]N)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(NO){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(O){1|N<3>,2|O<1>}	119.7150	0.000	1	119.7150	0.000	1	119.5895	0.032	2	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-2:Br-1:	C[6](C[6]C[6]Br)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)2(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]O)(C[6]C[6])(Br){1|Br<1>,1|C<3>,1|C<4>}	117.1600	0.000	1	117.2665	0.023	2	117.2665	0.023	2	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-2:Br-1:	C[6](C[6]C[6]Br)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]O)(C[6]C[6])(Br)	C[6](C[6]C[6]Br)2(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(Br){1|Br<1>,1|C<2>,1|S<4>}	C[6](C[6]C[6]O)(C[6]C[6])(Br){1|Br<1>,1|C<3>,1|S<4>}	117.3730	0.000	1	117.2665	0.023	2	117.2665	0.023	2	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|H<1>,2|C<3>}	121.8970	0.000	1	121.5147	1.268	4	120.9967	1.079	7	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.8780	0.000	1	121.5147	1.268	4	120.9967	1.079	7	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,2|H<1>}	122.1420	0.438	2	121.5147	1.268	4	120.9967	1.079	7	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(OC){2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	120.0920	0.000	1	120.0920	0.000	1	120.9967	1.079	7	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(OP)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(OP){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	120.1910	0.000	1	120.1910	0.000	1	120.9967	1.079	7	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(OP[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(OP[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.6350	0.000	1	120.6350	0.000	1	120.9967	1.079	7	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(SC){1|H<1>,1|N<2>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6])(H){1|C<3>,1|H<1>}	118.1700	0.000	1	118.1700	0.000	1	118.2493	0.286	3	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(SC[6,6])	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(SC[6,6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.8190	0.000	1	118.8190	0.000	1	118.2493	0.286	3	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(SPd)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(SPd){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,2|H<1>}	117.7590	0.000	1	117.7590	0.000	1	118.2493	0.286	3	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(SeC[6a])	C[6](C[6]C[6]Se)(C[6]C[6]H)(H)	C[6](C[6]C[6]Se)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(SeC[6a]){1|C<3>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]Se)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.1700	1.157	2	118.1700	1.338	2	118.1700	1.338	2	119.2508	3.095	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|S<2>}	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<2>,1|H<1>,1|O<2>,1|S<2>}	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<3>,1|S<2>,2|H<1>}	119.6220	0.000	1	119.6220	0.000	1	119.6220	0.000	1	119.7522	5.436	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:S-2:	C[6](C[6]C[6]H)(C[6]C[6]S)(SOs)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(C[6]C[6])(SOs)	C[6](C[6]C[6]H)(C[6]C[6]S)(SOs){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]C[6])(SOs){1|C<3>,2|H<1>}	119.7848	2.691	4	119.7848	7.241	4	119.7848	7.241	4	119.7522	5.436	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]N)(C[6]N[6]O)(NN)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(NN){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	116.6430	0.000	1	116.6430	0.000	1	117.3195	0.915	2	117.4991	0.182	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]N)(C[6]N[6]O)(NO)	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO){1|C<3>,1|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	117.9960	0.000	1	117.9960	0.000	1	117.3195	0.915	2	117.4991	0.182	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OCu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	117.5120	0.242	2	117.5120	0.058	2	117.5710	0.021	5	117.4991	0.182	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(ONi){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	117.6315	0.108	2	117.6315	0.012	2	117.5710	0.021	5	117.4991	0.182	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	117.5680	0.000	1	117.5680	0.000	1	117.5710	0.021	5	117.4991	0.182	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.5370	0.078	3	118.5370	0.006	3	118.6479	0.567	7	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC){1|Ir<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.2445	1.515	2	118.2445	2.296	2	118.6479	0.567	7	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CC){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.2175	0.286	2	119.2175	0.082	2	118.6479	0.567	7	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(CC)	C[6](C[6]C[6]C)(C[6]C[6]F)(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(CC){1|C<2>,2|F<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(F){1|C<3>,1|F<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(F){1|C<3>,1|F<1>}	114.2340	0.000	1	114.2340	0.000	1	114.2340	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ga<4>,1|C<3>,1|H<1>}	117.0540	0.000	1	117.0540	0.000	1	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	116.7900	0.126	2	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.4098	0.726	6	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	117.4140	0.000	1	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	116.8817	0.530	3	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.3702	0.412	5	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	117.7750	0.000	1	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	117.0585	0.561	4	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	116.0420	0.000	1	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.6286	1.359	5	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	118.0700	0.000	1	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	116.3343	0.776	7	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	118.0917	1.189	6	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	117.5220	0.000	1	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|V<11>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|V<11>,1|C<3>,1|H<1>}	117.8590	0.000	1	117.6246	1.269	44	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	119.7230	0.000	2	119.4796	0.066	5	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	119.3173	0.181	3	119.4796	0.066	5	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.5310	0.000	1	118.5310	0.000	1	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	120.4440	0.000	1	120.7006	0.690	7	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	120.7433	0.902	6	120.7006	0.690	7	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.9270	0.000	1	120.9270	0.000	1	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	121.8610	0.000	1	121.8610	0.000	1	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	119.3530	0.000	1	119.3530	0.000	1	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	120.4720	0.000	1	120.4720	0.000	1	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	119.4930	0.000	1	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.4377	2.353	30	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.7220	0.000	1	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.5611	0.713	11	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.5100	0.024	2	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.1895	0.334	4	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.1420	0.000	1	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.3176	0.453	5	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	119.5530	0.000	1	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	120.2025	0.599	2	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	119.2917	0.310	6	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.1877	0.562	3	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.7184	0.388	5	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.3180	0.000	1	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	119.2648	0.185	5	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	119.4950	0.040	2	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	119.3160	0.000	1	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.3490	0.000	1	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	118.2250	0.380	2	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	119.6820	0.000	1	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.3315	0.367	2	119.5170	2.208	87	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.6580	1.906	2	119.5916	1.213	8	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	119.9660	0.181	5	119.5916	1.213	8	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	117.5870	0.000	1	119.5916	1.213	8	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CN){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	121.9925	0.894	2	121.9925	0.800	2	119.0861	2.682	159	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]H)(C[6]C[6]I)(CC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(I)	C[6](C[6]C[6]H)(C[6]C[6]I)(CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|I<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(I){1|C<3>,1|C<4>,1|H<1>}	118.0458	0.410	11	118.0458	0.168	11	118.0458	0.168	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	118.3295	0.513	2	118.3295	0.263	2	119.5779	0.764	9	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	119.5520	0.000	1	119.5520	0.000	1	119.5779	0.764	9	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.9983	0.578	6	119.9983	0.334	6	119.5779	0.764	9	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.9673	0.336	3	116.9673	0.113	3	118.1669	0.869	65	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.2920	0.000	1	117.2920	0.000	1	118.1669	0.869	65	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.2320	0.000	1	116.2320	0.000	1	118.1669	0.869	65	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.1912	0.881	41	118.1912	0.776	41	118.1669	0.869	65	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.7710	0.487	7	117.7710	0.237	7	118.1669	0.869	65	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.7700	0.439	3	117.7998	0.132	4	118.1669	0.869	65	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.8890	0.000	1	117.7998	0.132	4	118.1669	0.869	65	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.3420	0.000	1	119.3420	0.000	1	118.1669	0.869	65	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.4855	0.402	2	119.3774	0.061	7	118.1669	0.869	65	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.3342	0.207	5	119.3774	0.061	7	118.1669	0.869	65	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CN){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|O<1>}	124.0140	0.000	1	124.0140	0.000	1	124.0140	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	119.1299	0.693	8	119.1299	0.480	8	119.0800	0.387	10	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.8805	0.136	2	118.8805	0.019	2	119.0800	0.387	10	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CC)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|H<1>}	119.3583	0.793	3	119.3583	0.628	3	119.3583	0.628	3	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CN)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CN){1|H<1>,2|C<4>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,2|H<1>}	118.2390	0.000	1	118.2390	0.000	1	118.2390	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Ag)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.9447	0.186	4	117.9447	0.035	4	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.4430	0.000	1	117.4430	0.000	1	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.7180	0.000	1	116.7180	0.000	1	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Co<6>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	118.8480	0.000	1	118.8480	0.000	1	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.5975	0.175	2	117.5975	0.031	2	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.8079	1.540	16	117.8079	2.371	16	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	119.4064	0.553	5	119.4064	0.306	5	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	115.9382	5.196	8	116.1614	24.070	9	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.9470	0.000	1	116.1614	24.070	9	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.6723	0.751	7	117.6723	0.564	7	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.0510	0.000	1	118.0510	0.000	1	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.4180	0.305	2	119.3703	0.053	3	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.2750	0.000	1	119.3703	0.053	3	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.9240	0.335	2	118.9240	0.112	2	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.0757	0.126	3	119.0757	0.016	3	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.8690	0.723	6	119.8690	0.523	6	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.5560	0.387	2	119.5560	0.150	2	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CO){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.0440	0.000	1	119.0440	0.000	1	118.1204	5.037	64	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:I-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(IC[6a])	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)2(IC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	121.3630	0.000	1	121.3630	0.000	1	121.3630	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	118.3230	0.000	1	118.3230	0.000	1	118.3230	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NN){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	119.0120	0.132	2	119.0120	0.017	2	119.0120	0.017	2	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	118.9110	0.000	1	118.9110	0.000	1	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	115.2535	0.332	2	115.2535	0.110	2	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[5a])	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NC[5a]){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	117.7600	0.000	1	117.7600	0.000	1	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a])	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NC[6a]){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	117.5923	0.404	3	117.5923	0.163	3	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	117.2230	0.000	1	117.2230	0.000	1	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NFe)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NFe){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,2|H<1>}	116.6740	0.000	1	116.6740	0.000	1	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.4740	0.000	1	116.4175	0.006	2	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	116.3610	0.000	1	116.4175	0.006	2	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	119.2207	0.244	3	119.2207	0.060	3	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NN){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	120.1772	0.105	5	119.9944	0.220	11	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NN){1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|Dy<16>,1|C<3>,1|H<1>,1|O<2>}	120.0637	0.767	3	119.9944	0.220	11	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NN){1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|Tb<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|Tb<16>,1|C<3>,1|H<1>,1|O<2>}	119.6203	0.434	3	119.9944	0.220	11	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	115.2980	0.886	3	118.3193	3.215	32	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	119.0238	0.364	6	118.3193	3.215	32	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.3248	1.899	6	118.3193	3.215	32	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	120.2080	0.000	1	118.3193	3.215	32	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	119.1511	1.150	7	118.3193	3.215	32	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	119.8480	0.000	1	118.3193	3.215	32	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	119.2960	0.000	1	118.3193	3.215	32	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|V<11>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|V<11>,1|C<3>,1|H<1>}	113.4930	0.000	1	118.3193	3.215	32	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.0685	1.367	2	118.3193	3.215	32	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	118.7980	0.260	4	118.3193	3.215	32	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NN)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.2385	0.084	2	119.2385	0.007	2	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	119.0590	0.443	2	119.0590	0.196	2	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NS)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NS){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	116.7119	1.159	10	116.7119	1.344	10	118.2284	2.975	71	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	116.9300	0.105	2	116.9300	0.011	2	118.8396	1.452	10	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a])	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	118.3680	0.000	1	118.3680	0.000	1	118.8396	1.452	10	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NN)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	120.9770	0.000	1	120.9770	0.000	1	118.8396	1.452	10	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NN)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	119.1985	0.213	4	119.1985	0.045	4	118.8396	1.452	10	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	119.3790	0.000	1	119.1985	0.065	2	118.8396	1.452	10	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	119.0180	0.000	1	119.1985	0.065	2	118.8396	1.452	10	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	118.4545	0.354	2	118.4545	0.126	2	117.6980	0.936	5	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	118.1870	0.000	1	118.1870	0.000	1	117.6980	0.936	5	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	116.3580	0.000	1	116.6970	0.230	2	117.6980	0.936	5	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.0360	0.000	1	116.6970	0.230	2	117.6980	0.936	5	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	117.2660	0.214	2	117.2660	0.046	2	117.2660	0.046	2	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6])	C[6](C[6]C[6]F)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]N)(O){1|C<3>,1|F<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(F){1|C<3>,1|N<3>,1|O<1>}	118.0010	0.000	1	118.0010	0.000	1	118.0010	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	121.3080	0.583	2	121.3623	0.179	3	121.3623	0.179	3	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	121.4710	0.000	1	121.3623	0.179	3	121.3623	0.179	3	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(NN)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]O)2(NN){1|C<3>,2|N<2>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|O<1>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|O<1>}	123.1165	3.017	4	123.1165	9.101	4	123.1165	9.101	4	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(NN)	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(NN){1|C<3>,2|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	121.3720	0.000	1	121.3720	0.000	1	120.1967	0.383	9	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(NN)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	119.7230	0.136	2	119.7230	0.018	2	120.1967	0.383	9	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(NO)	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(NO){1|C<3>,2|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	120.9570	0.000	1	120.9570	0.000	1	120.1967	0.383	9	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(NO)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NO){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	119.9990	0.332	5	119.9990	0.110	5	120.1967	0.383	9	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.4700	0.136	2	118.4700	0.018	2	119.0965	1.333	4	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.6250	0.000	1	118.6250	0.000	1	119.0965	1.333	4	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NC)	C[6](N[6]C[6]Re)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	120.8210	0.000	1	120.8210	0.000	1	119.0965	1.333	4	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(NN)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NN){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	119.6190	0.000	1	119.6190	0.000	1	119.6190	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]O)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]O)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]N[5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	119.9010	0.000	1	119.9010	0.000	1	119.9010	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH){1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	120.9040	0.000	1	120.9040	0.000	1	120.9040	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(O)	C[6](C[6]C[6,6]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|C<4>,2|C<3>}	C[6](C[6,6]C[3x6]C[6,6])(C[6]C[6]O)(O){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6,6]C[6a])(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	119.9190	0.000	1	119.9190	0.000	1	121.2458	0.697	5	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	121.3927	0.298	3	121.5775	0.196	4	121.2458	0.697	5	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(OC){1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	122.1320	0.000	1	121.5775	0.196	4	121.2458	0.697	5	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(OC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(H){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(O){1|H<1>,2|C<3>}	121.2860	0.395	2	121.2860	0.156	2	121.2860	0.156	2	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	121.9513	0.179	3	121.9513	0.032	3	121.3064	1.750	13	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	122.1630	0.000	1	121.8980	0.032	4	121.3064	1.750	13	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	121.8097	0.026	3	121.8980	0.032	4	121.3064	1.750	13	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OH){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	118.4765	0.631	2	118.4765	0.399	2	121.3064	1.750	13	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	121.6460	0.662	4	121.6460	0.438	4	121.3064	1.750	13	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]I)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(I)	C[6](C[6]C[6,6a]O)(C[6]C[6]I)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(I){1|O<1>,2|C<3>}	121.3506	0.651	7	121.3506	0.423	7	121.3506	0.423	7	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(Br){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(O){2|Br<1>,1|C<3>}	119.9505	1.102	2	119.9505	1.215	2	119.9505	1.215	2	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(O){2|Cl<1>,1|C<3>}	119.0010	0.000	1	119.0010	0.000	1	119.4797	0.892	4	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(O){2|Cl<1>,1|C<3>}	119.5085	1.505	2	119.5085	2.266	2	119.4797	0.892	4	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){2|Cl<1>,1|C<3>}	119.9010	0.000	1	119.9010	0.000	1	119.4797	0.892	4	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(OC)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(OC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|Cl<1>,1|C<3>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(Cl){1|C<3>,1|H<1>,2|O<2>}	120.3335	0.189	2	120.3335	0.036	2	120.3335	0.036	2	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OB)	C[6](C[6]C[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]O)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)2(OB){1|O<2>,2|C<4>}	C[6](C[6]C[6]O)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	116.2515	0.568	2	116.2515	0.322	2	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(H){1|H<1>,3|C<3>}	122.3000	0.000	1	122.3000	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|C<4>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	120.5450	0.000	1	120.5450	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|O<2>}	121.7860	0.000	1	121.7860	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	120.1020	0.000	1	119.8345	0.143	2	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ti<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ti<10>,1|C<3>,1|H<1>,1|N<3>}	119.5670	0.000	1	119.8345	0.143	2	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|H<1>,1|N<2>}	122.3110	0.000	1	121.4584	0.205	14	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	121.3928	0.396	13	121.4584	0.205	14	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	119.9905	0.193	2	120.2656	0.194	31	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	120.2224	0.473	16	120.2656	0.194	31	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	120.4560	0.000	1	120.2656	0.194	31	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	120.6360	0.215	2	120.2656	0.194	31	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	120.1380	0.223	2	120.2656	0.194	31	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	120.8260	0.464	2	120.2656	0.194	31	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	120.5527	0.043	3	120.2656	0.194	31	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	119.7940	0.167	3	120.2656	0.194	31	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.9633	0.183	4	119.0892	1.063	72	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.9590	0.371	4	119.0892	1.063	72	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	118.8680	0.417	2	119.0892	1.063	72	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.8231	1.339	24	119.0892	1.063	72	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	118.3843	0.640	4	119.0892	1.063	72	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.7828	0.860	12	119.0892	1.063	72	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	118.5915	0.719	2	119.0892	1.063	72	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.9682	0.324	4	119.0892	1.063	72	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	118.6033	0.412	10	119.0892	1.063	72	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	118.5373	0.394	6	119.0892	1.063	72	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	120.4610	0.000	1	119.6047	2.851	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.6960	0.000	1	119.6047	2.851	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	124.2890	0.000	1	119.6047	2.851	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.4510	0.000	1	119.6047	2.851	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.2647	0.414	3	119.6047	2.851	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	118.2010	0.000	1	119.6047	2.851	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	118.1360	0.000	1	119.6047	2.851	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.3120	0.017	2	119.6047	2.851	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.8625	0.210	2	118.9212	0.129	6	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	118.9335	0.561	2	118.9212	0.129	6	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.9675	0.525	2	118.9212	0.129	6	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	118.2240	0.000	1	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|B<5>,1|C<3>,1|H<1>}	118.4400	0.195	2	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|B<6>,1|C<3>,1|H<1>}	118.5720	0.197	2	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<6>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<6>,1|H<1>}	118.3455	0.098	2	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	119.0970	0.389	2	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.7100	0.000	1	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.2742	0.476	4	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	117.5890	0.195	2	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.6935	0.254	11	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	118.2430	0.000	1	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	115.3755	4.191	2	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.0743	0.379	3	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.4712	0.653	4	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	117.8400	0.820	2	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.5165	0.832	2	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.3122	0.435	10	118.5036	1.272	51	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Fe<6>,1|C<3>,1|H<1>}	117.7037	0.359	4	118.2458	0.843	13	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Mn<6>,1|C<3>,1|H<1>}	118.8470	0.798	4	118.2458	0.843	13	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	117.0145	0.552	2	118.2458	0.843	13	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(OC){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]N)(H){1|Zn<6>,1|C<3>,1|H<1>}	118.9877	0.330	3	118.2458	0.843	13	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	122.8090	0.000	1	122.8090	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.1008	0.491	8	119.1008	0.241	8	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|Cr<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|Cr<6>,1|H<1>,3|C<3>}	118.7640	0.000	1	118.7640	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.0300	0.000	1	119.0752	0.048	4	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.0903	0.264	3	119.0752	0.048	4	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]O)(H){1|Ru<6>,1|H<1>,3|C<3>}	120.8550	0.000	1	120.8550	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC[6a])	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.8930	0.036	3	119.8930	0.001	3	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OCo)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OCo){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	116.5270	0.000	1	116.5270	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OCu)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OCu){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	115.4780	0.000	1	115.4780	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OH){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|S<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	119.9420	0.000	1	119.9420	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	119.3170	0.150	2	119.3170	0.022	2	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|H<1>,1|N<2>}	121.5897	0.295	4	121.0705	0.364	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	120.7739	0.529	7	121.0705	0.364	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	120.0630	0.000	1	119.5960	0.204	5	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	119.4793	0.426	4	119.5960	0.204	5	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Co<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	118.4865	0.029	2	118.4965	0.094	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	118.7865	0.194	2	118.4965	0.094	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	118.2435	0.364	2	118.4965	0.094	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	118.6305	0.439	2	118.4965	0.094	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.6140	0.000	1	118.4965	0.094	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	118.2765	0.360	2	118.4965	0.094	11	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|Re<6>,1|H<1>,3|C<3>}	119.3450	0.000	1	119.3450	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	118.2134	0.289	5	119.0993	0.431	25	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cd<6>,1|C<3>,1|H<1>}	119.0865	0.053	2	119.0993	0.431	25	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.2380	0.000	1	119.0993	0.431	25	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cr<6>,1|C<3>,1|H<1>}	119.9098	0.333	4	119.0993	0.431	25	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	119.6830	0.000	1	119.0993	0.431	25	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	118.9785	0.828	2	119.0993	0.431	25	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.3890	0.370	3	119.0993	0.431	25	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.4880	0.000	1	119.0993	0.431	25	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.4930	0.023	2	119.0993	0.431	25	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	118.5580	0.195	3	119.0993	0.431	25	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	119.4110	0.000	1	119.0993	0.431	25	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.3960	0.000	1	118.5076	1.050	16	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.9608	0.635	11	118.5076	1.050	16	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	115.7430	0.000	1	118.5076	1.050	16	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	118.2050	0.000	1	118.5076	1.050	16	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.6045	0.299	2	118.5076	1.050	16	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|H<1>}	120.8873	0.527	3	120.8873	0.277	3	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OH){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]O)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	118.2925	0.062	2	118.2925	0.004	2	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OH)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OH){1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(H){1|H<1>,3|C<3>}	117.3960	0.783	2	117.3960	0.614	2	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OMn)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OMn){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	114.9110	0.000	1	114.9110	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OP)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	119.6800	0.000	1	119.6800	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OP)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OP){1|N<3>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	120.6780	0.000	1	120.6780	0.000	1	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OZn)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(OZn){1|N<3>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	115.3278	0.151	4	115.3278	0.023	4	119.1914	1.915	311	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]Br)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	121.4985	0.904	2	121.4985	0.818	2	120.9239	1.391	43	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Br<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	120.6140	0.000	1	120.6140	0.000	1	120.9239	1.391	43	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	121.2090	0.000	1	121.2090	0.000	1	120.9239	1.391	43	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)2(O){1|C<3>,2|H<1>}	121.9450	1.071	2	121.9450	1.146	2	120.9239	1.391	43	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	120.7559	0.538	12	120.7559	0.289	12	120.9239	1.391	43	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|N<2>,2|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	121.5412	0.528	5	121.6702	0.323	6	120.9239	1.391	43	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	122.3150	0.000	1	121.6702	0.323	6	120.9239	1.391	43	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	114.7630	0.000	1	114.7630	0.000	1	120.9239	1.391	43	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	120.9534	0.647	18	120.9534	0.418	18	120.9239	1.391	43	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Br-1:	C[6](C[6]N[6]Br)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]O)(Br)	C[6](C[6]N[6]Br)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]O)(Br){1|C<3>,2|H<1>}	118.4400	0.000	1	118.4400	0.000	1	118.4400	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]O)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]O)(Cl){1|C<3>,2|H<1>}	119.1530	0.000	1	119.1530	0.000	1	119.1530	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	120.2055	0.438	2	120.2055	0.192	2	118.5940	0.531	35	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.9510	0.116	2	117.9510	0.013	2	118.5940	0.531	35	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	118.9652	0.430	11	118.9709	0.169	12	118.5940	0.531	35	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.0340	0.000	1	118.9709	0.169	12	118.5940	0.531	35	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.1665	0.451	18	118.1665	0.204	18	118.5940	0.531	35	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	119.8290	0.000	1	119.8290	0.000	1	118.5940	0.531	35	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	119.0838	0.322	6	119.0838	0.104	6	119.0223	0.294	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	120.2400	0.000	1	120.2400	0.000	1	119.0223	0.294	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	118.4535	0.383	2	118.4535	0.146	2	119.0223	0.294	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	118.7975	0.132	2	118.7975	0.017	2	119.0223	0.294	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	119.0270	0.017	2	119.0270	0.000	2	121.1260	2.034	35	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	120.3930	0.000	1	119.9630	0.370	2	121.1260	2.034	35	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC[6]){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){2|Br<1>,1|C<3>}	C[6](C[6]C[6]O)2(Br){1|Br<1>,1|C<3>,1|O<1>}	119.5330	0.000	1	119.9630	0.370	2	121.1260	2.034	35	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Br){1|C<3>,2|O<1>}	122.1751	0.895	18	121.3364	1.863	31	121.1260	2.034	35	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)2(Br){1|C<3>,1|O<1>,1|O<2>}	120.1752	1.003	13	121.3364	1.863	31	121.1260	2.034	35	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	119.9350	0.000	1	119.9350	0.000	1	121.1715	1.192	140	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	119.3810	0.000	1	120.0905	1.007	2	121.1715	1.192	140	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6])	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OC[6]){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]O)2(Cl){1|Cl<1>,1|C<3>,1|O<1>}	120.8000	0.000	1	120.0905	1.007	2	121.1715	1.192	140	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,2|O<1>}	121.8859	0.558	78	121.1963	1.182	137	121.1715	1.192	140	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	120.2846	0.934	59	121.1963	1.182	137	121.1715	1.192	140	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(OH)	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(OH){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]O)2(F){1|C<3>,2|O<1>}	119.6285	1.196	2	119.2226	0.570	5	119.2226	0.570	5	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(OH)	C[6](C[6]C[6]F)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(OH){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]O)(O){1|C<3>,1|F<1>,1|O<2>}	C[6](C[6]C[6]O)2(F){1|C<3>,1|O<1>,1|O<2>}	118.9520	0.389	3	119.2226	0.570	5	119.2226	0.570	5	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	119.9850	0.000	1	119.9850	0.000	1	120.6523	0.739	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|O<1>}	120.8230	0.759	2	120.8230	0.577	2	120.6523	0.739	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	119.1750	0.000	1	119.1750	0.000	1	120.6523	0.739	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|O<1>}	122.4380	0.000	1	122.4380	0.000	1	120.6523	0.739	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|O<1>}	119.9450	0.000	1	120.4925	0.600	2	120.6523	0.739	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]O)2(H){1|O<1>,2|C<3>}	121.0400	0.000	1	120.4925	0.600	2	120.6523	0.739	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<1>,1|O<2>}	120.8560	0.213	3	120.8560	0.046	3	120.6523	0.739	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OSi)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OSi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<1>,1|O<2>}	120.3780	0.000	1	120.3780	0.000	1	120.6523	0.739	11	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]O)2(I){1|C<3>,1|H<1>,1|O<1>}	118.8560	0.000	1	118.8560	0.000	1	121.0366	1.183	9	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)(C[6]C[6]O)(OH)	C[6](C[6]C[6]I)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(OH){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(O){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]O)2(I){1|C<3>,2|O<1>}	122.4040	0.264	2	121.3091	0.588	8	121.0366	1.183	9	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6]I)(C[6]C[6]O)(OH)	C[6](C[6]C[6]I)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(I)	C[6](C[6]C[6]I)(C[6]C[6]O)(OH){1|C<3>,1|I<1>,1|O<1>}	C[6](C[6]C[6]I)(C[6]C[6]O)(O){1|C<3>,1|I<1>,1|O<2>}	C[6](C[6]C[6]O)2(I){1|C<3>,1|O<1>,1|O<2>}	120.9442	0.412	6	121.3091	0.588	8	121.0366	1.183	9	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(OC)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	119.4940	0.000	1	119.4940	0.000	1	119.4940	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](N[6]C[6]Co)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Co<6>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Co)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	119.1630	0.000	1	119.1630	0.000	1	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](N[6]C[6]Co)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Co<6>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Co)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|N<3>,2|H<1>}	119.5178	0.385	6	119.5178	0.148	6	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](N[6]C[6]Pd)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Pd<4>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	119.0392	0.620	5	119.0392	0.385	5	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OC)	C[6](N[6]C[6]Pt)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC){1|Pt<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	118.7400	0.086	2	118.7400	0.007	2	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	C[6](N[6]C[6]Cu)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	120.8950	0.330	2	120.5887	0.336	3	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	C[6](N[6]C[6]Cu)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	119.9760	0.000	1	120.5887	0.336	3	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a])	C[6](N[6]C[6]Mn)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OC[6a]){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	120.2505	0.019	2	120.2505	0.000	2	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](N[6]C[6]Cd)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Cd<6>,2|C<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	118.8480	0.000	1	118.8480	0.000	1	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](N[6]C[6]Co)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	118.5165	0.067	2	118.5165	0.005	2	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](N[6]C[6]Cu)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	118.2510	0.000	1	118.2510	0.000	1	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](N[6]C[6]Ir)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	118.6070	0.000	1	118.6070	0.000	1	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](N[6]C[6]Ni)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	118.1005	0.190	2	118.1005	0.036	2	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](N[6]C[6]Pt)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	118.0080	0.000	1	118.0080	0.000	1	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(OH)	C[6](N[6]C[6]Zn)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(OH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	118.1020	0.000	1	118.1020	0.000	1	119.1522	0.720	28	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H){1|C<3>,1|N<2>,1|O<1>}	121.7290	0.219	2	121.7290	0.048	2	121.2658	0.561	5	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC[6a]){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H){1|C<3>,1|N<2>,1|O<1>}	121.9430	0.000	1	120.9570	0.740	3	121.2658	0.561	5	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SC[6a]){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(H){1|O<1>,2|C<3>}	120.4640	0.146	2	120.9570	0.740	3	121.2658	0.561	5	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SB)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SB){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	119.9110	0.696	2	119.9110	0.484	2	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.0830	0.000	1	118.0830	0.000	1	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]C)(H)	C[6](C[6]C[6]S)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(SC){1|N<3>,2|C<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]C)(H){1|Zn<5>,1|C<3>,1|H<1>}	119.4830	0.470	4	119.4830	0.221	4	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.9020	0.007	2	117.5586	2.425	16	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	117.4456	0.197	5	117.5586	2.425	16	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>}	116.9070	0.000	1	117.5586	2.425	16	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	116.8960	0.793	2	117.5586	2.425	16	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	117.8265	5.465	2	117.5586	2.425	16	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	117.3715	0.124	2	117.5586	2.425	16	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.4050	0.686	2	117.5586	2.425	16	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC)	C[6](C[6]N[5]N[6])(C[6]C[6]S)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SC){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]S)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]S)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	120.2018	0.417	16	120.2018	0.174	16	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[5])	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC[5]){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.5150	0.000	1	119.5150	0.000	1	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[6])	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC[6]){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.9950	0.464	4	119.9950	0.215	4	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[6a])	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	118.0195	0.415	2	118.0195	0.172	2	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[6a])	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC[6a]){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	117.6030	0.000	1	118.0182	0.201	5	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[6a])	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC[6a]){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	118.3790	0.000	1	118.0182	0.201	5	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[6a])	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC[6a]){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.1125	0.684	2	118.0182	0.201	5	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[6a])	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SC[6a]){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	117.8840	0.000	1	118.0182	0.201	5	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SCu)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SCu){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	115.6803	0.382	4	115.6803	0.146	4	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SIr)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SIr){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	116.7430	0.000	1	115.1073	6.804	6	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SIr)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SIr){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	114.7802	2.775	5	115.1073	6.804	6	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SPd)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SPd){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	115.2450	0.000	1	115.2450	0.000	1	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SRe)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SRe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	119.8190	0.000	1	119.8190	0.000	1	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SS)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SS){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.2427	0.781	9	118.4875	1.042	20	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SS)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SS){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	117.0010	0.000	1	118.4875	1.042	20	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SS)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SS){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	117.6960	0.074	2	118.4875	1.042	20	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SS)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SS){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.1200	0.140	2	118.4875	1.042	20	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SS)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SS){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	117.9888	0.954	6	118.4875	1.042	20	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SW)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SW){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.3130	0.000	1	117.3130	0.000	1	118.3467	3.479	84	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a])	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]S)2(O){1|C<3>,2|H<1>}	120.7438	0.601	4	120.7438	0.361	4	120.7438	0.361	4	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SC)	C[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,1|S<2>}	119.4260	0.000	1	119.4260	0.000	1	119.4260	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SC[6a])	C[6](N[6]C[6]Zn)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SC[6a]){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	119.1345	0.312	2	119.1345	0.097	2	119.1345	0.097	2	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Se-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SeC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]Se)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(SeC[6a]){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]Se)(H){1|O<1>,2|C<3>}	121.6110	0.000	1	121.6110	0.000	1	121.6110	0.000	1	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SeSe)	C[6](C[6]C[6]Se)(C[6]N[6]H)(H)	C[6](C[6]C[6]Se)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SeSe){1|N<3>,2|H<1>}	C[6](C[6]C[6]Se)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.5595	0.807	2	119.5595	0.651	2	119.5595	0.651	2	119.3750	3.131	1212	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN){1|C<4>,1|N<2>,1|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H){1|C<2>,2|C<4>,3|C<3>}	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN){1|H<1>,2|C<3>}	121.2620	0.000	1	121.0345	0.104	2	121.0345	0.104	2	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN){1|C<4>,2|N<3>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6]C)(H){1|C<2>,2|C<4>,3|C<3>}	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN){1|H<1>,2|C<3>}	120.8070	0.000	1	121.0345	0.104	2	121.0345	0.104	2	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]N[5,6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|O<1>,1|O<2>}	122.2150	0.000	1	122.2150	0.000	1	122.5785	0.264	2	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|O<1>,1|O<2>}	122.9420	0.000	1	122.9420	0.000	1	122.5785	0.264	2	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CN)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CN){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CN){1|O<1>,2|C<3>}	122.3390	0.885	2	122.3390	0.784	2	122.3390	0.784	2	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-2:	C[6](C[6]C[6]H)(C[6]N[6]C)(CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]B)(CC)	C[6](C[6]C[6]H)(C[6]N[6]C)(CC){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]B)(CC){1|C<3>,2|H<1>}	119.1070	0.042	2	119.1070	0.002	2	119.1070	0.002	2	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Br<1>,1|C<3>,1|O<1>}	121.3963	0.783	12	121.3963	0.612	12	121.3623	0.559	14	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|O<1>,1|O<2>}	121.6260	0.000	1	121.6260	0.000	1	121.3623	0.559	14	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|H<1>,1|O<1>}	120.6910	0.000	1	120.6910	0.000	1	121.3623	0.559	14	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(NS)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(OC[6a])	C[6](C[6]C[6]H)(C[6]C[6]O)(NS){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(OC[6a]){1|C<3>,2|H<1>}	114.4280	0.000	1	114.4280	0.000	1	114.4280	0.000	1	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(NO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(OBa)	C[6](C[6]C[6]O)2(NO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)2(OBa){1|C<3>,2|O<1>}	120.7960	0.000	1	120.7960	0.000	1	120.7960	0.000	1	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|O<1>,2|C<3>}	124.1510	0.000	1	124.1510	0.000	1	122.3935	6.178	2	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(OC){1|O<1>,2|C<3>}	120.6360	0.000	1	120.6360	0.000	1	122.3935	6.178	2	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<2>,1|C<4>,1|O<2>}	C[6](C[6]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]O)2(OH){1|C<3>,1|H<1>}	119.1890	0.000	1	119.1890	0.000	1	120.0573	0.783	3	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(OC){1|C<3>,2|H<1>}	120.0250	0.000	1	120.0250	0.000	1	120.0573	0.783	3	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)2(OH){1|H<1>,2|C<3>}	120.9580	0.000	1	120.9580	0.000	1	120.0573	0.783	3	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(OMo)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(OMo)	C[6](C[6]C[6]H)(C[6]N[6]O)(OMo){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(OMo){1|C<3>,2|H<1>}	120.0525	0.504	2	120.0525	0.254	2	120.0187	0.129	4	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(OMo)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(OMo)	C[6](C[6]C[6]H)(C[6]N[6]O)(OMo){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]O)(N[6]C[6]H)(OMo){1|C<3>,2|H<1>}	119.9850	0.356	2	119.9850	0.127	2	120.0187	0.129	4	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(OCu)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(SCu)	C[6](C[6]C[6]H)(C[6]N[6]S)(OCu){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(SCu){1|C<3>,2|H<1>}	117.3885	0.062	2	117.3885	0.004	2	116.5770	1.017	5	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(OZn)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]C)(SZn)	C[6](C[6]C[6]H)(C[6]N[6]S)(OZn){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]O)(N[6]C[6]C)(SZn){1|C<3>,2|H<1>}	116.0360	0.967	3	116.0360	0.935	3	116.5770	1.017	5	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(CN){1|C<3>,2|O<1>}	122.4360	0.000	1	122.4360	0.000	1	120.5100	7.419	2	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(O){1|Cl<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]O)2(CN){1|Cl<1>,1|C<3>,1|O<1>}	118.5840	0.000	1	118.5840	0.000	1	120.5100	7.419	2	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]Br)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]O)2(OC){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)2(OC){1|Br<1>,1|C<3>,1|O<1>}	121.0250	0.601	2	121.0250	0.361	2	120.9728	1.240	6	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]O)2(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)2(OC){1|C<3>,1|H<1>,1|O<1>}	119.7670	0.004	2	119.7670	0.000	2	120.9728	1.240	6	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]O)2(OH){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(OC){1|C<3>,2|O<1>}	122.1265	0.514	2	122.1265	0.264	2	120.9728	1.240	6	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)(C[6]N[6]H)(OC[6a])	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NS)	C[6](C[6]C[6]N)(C[6]N[6]H)(OC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NS){1|N<3>,2|H<1>}	122.3220	0.000	1	122.3220	0.000	1	122.3220	0.000	1	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(SC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(SC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(SC[6a]){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(SC[6a]){1|O<1>,2|C<3>}	119.9615	0.803	2	119.9615	0.644	2	119.9615	0.644	2	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(SC)	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(SC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NC){1|C<3>,2|H<1>}	121.0010	0.000	1	121.0010	0.000	1	121.0010	0.000	1	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(SNi)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(SNi)	C[6](C[6]C[6]H)(C[6]N[6]S)(SNi){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6]H)(SNi){1|C<3>,2|H<1>}	118.4030	0.134	2	118.4030	0.018	2	118.2066	0.305	5	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(SPd)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(SPd)	C[6](C[6]C[6]H)(C[6]N[6]S)(SPd){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6]H)(SPd){1|C<3>,2|H<1>}	118.4410	0.520	2	118.4410	0.271	2	118.2066	0.305	5	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(SPt)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(SPt)	C[6](C[6]C[6]H)(C[6]N[6]S)(SPt){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]S)(N[6]C[6]H)(SPt){1|C<3>,2|H<1>}	117.3450	0.000	1	117.3450	0.000	1	118.2066	0.305	5	120.2449	4.022	55	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]N)2(CCO){1|C<3>,1|H<1>,1|O<1>}	118.3540	0.000	1	118.3540	0.000	1	118.3593	0.068	3	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)2(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]N)2(CHO){1|C<3>,1|H<1>,1|O<1>}	118.3620	0.369	2	118.3620	0.136	2	118.3593	0.068	3	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(NH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(NH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	117.3050	0.000	1	117.3050	0.000	1	117.3050	0.000	1	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCH){1|O<1>,2|C<3>}	123.0430	0.000	1	123.0430	0.000	1	123.0430	0.000	1	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]O)2(CC[6a]C){1|C<3>,2|H<1>}	125.5230	0.000	1	125.5230	0.000	1	125.5230	0.000	1	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(NFeC)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NFeC){1|C<3>,2|H<1>}	120.1810	0.000	1	120.1810	0.000	1	118.6984	2.343	5	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	119.4910	0.000	1	119.4910	0.000	1	118.6984	2.343	5	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(NOO){1|C<3>,2|H<1>}	116.5000	0.000	1	116.5000	0.000	1	118.6984	2.343	5	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|H<1>}	118.6600	1.308	2	118.6600	1.711	2	118.6984	2.343	5	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	118.5190	0.052	3	118.5190	0.003	3	118.5190	0.003	3	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(OC){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	117.8942	0.962	6	117.8942	0.926	6	118.1461	1.024	18	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OC){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	118.5730	0.000	1	118.5730	0.000	1	118.1461	1.024	18	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Bi)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Bi<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Bi)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	118.4110	0.025	2	118.4110	0.001	2	118.1461	1.024	18	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	117.9615	0.975	2	117.9615	0.951	2	118.1461	1.024	18	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mo)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	118.6540	0.000	1	118.6540	0.000	1	118.1461	1.024	18	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	119.2430	0.000	1	119.2430	0.000	1	118.1461	1.024	18	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Re)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	120.0450	0.000	1	120.0450	0.000	1	118.1461	1.024	18	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Sn)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Sn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Sn)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	117.5510	0.000	1	117.5510	0.000	1	118.1461	1.024	18	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	115.8010	0.000	1	115.8010	0.000	1	118.1461	1.024	18	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	118.3265	0.262	2	118.3265	0.069	2	118.1461	1.024	18	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-3:	C[6](C[6]C[6]H)(C[6]N[6]O)(OIr)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]O)(OIrLi)	C[6](C[6]C[6]H)(C[6]N[6]O)(OIr){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]O)(OIrLi){1|C<3>,2|H<1>}	119.5820	1.221	3	119.5820	1.490	3	118.9748	0.989	9	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-3:	C[6](C[6]C[6]H)(C[6]N[6]O)(ORh)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]O)(OLiRh)	C[6](C[6]C[6]H)(C[6]N[6]O)(ORh){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]O)(OLiRh){1|C<3>,2|H<1>}	118.6712	0.809	6	118.6712	0.655	6	118.9748	0.989	9	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a])	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a]){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|O<2>,2|C<3>}	C[6](C[6]C[6]O)2(COO){1|C<3>,1|O<1>,1|O<2>}	121.9248	0.786	5	121.9248	0.619	5	121.9248	0.619	5	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(SC)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(SC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	117.2960	0.000	1	117.2960	0.000	1	117.2960	0.000	1	119.0281	3.483	47	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|N<3>,2|O<1>}	123.4581	0.458	10	123.4581	0.210	10	123.1182	0.562	14	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	122.6790	0.035	2	122.6790	0.001	2	123.1182	0.562	14	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|O<1>}	121.2660	0.000	1	121.2660	0.000	1	123.1182	0.562	14	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	122.4500	0.000	1	122.4500	0.000	1	123.1182	0.562	14	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(NN)	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(NN){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|N<3>,2|O<1>}	120.3446	0.288	10	120.3446	0.083	10	120.3446	0.083	10	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(OC)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CF3)	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(OC){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]O)(O){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CF3){1|C<3>,1|N<3>,1|O<1>}	120.7450	0.000	1	120.7450	0.000	1	120.7450	0.000	1	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	124.5310	0.426	2	124.5310	0.181	2	123.6066	0.519	16	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	124.7710	0.000	1	124.7710	0.000	1	123.6066	0.519	16	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC[6a]){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	123.9340	0.499	2	123.9340	0.249	2	123.6066	0.519	16	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	123.3015	0.234	2	123.3015	0.055	2	123.6066	0.519	16	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	123.2467	0.565	3	123.3105	0.229	4	123.6066	0.519	16	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	123.5020	0.000	1	123.3105	0.229	4	123.6066	0.519	16	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	123.3277	0.797	4	123.3277	0.635	4	123.6066	0.519	16	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	122.8480	0.000	1	122.8480	0.000	1	123.6066	0.519	16	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	118.4270	0.000	1	118.4270	0.000	1	118.4270	0.000	1	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Si-4:	C[6](C[6]C[6]Si)(C[6]C[6]H)(OS)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(SiC3)	C[6](C[6]C[6]Si)(C[6]C[6]H)(OS){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Si<4>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)2(SiC3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	127.1430	0.000	1	127.1430	0.000	1	127.1430	0.000	1	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO){1|C<3>,2|H<1>}	119.3210	0.000	1	119.3210	0.000	1	119.7560	0.378	2	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(N[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]O)(CH3){1|C<3>,2|H<1>}	120.1910	0.000	1	120.1910	0.000	1	119.7560	0.378	2	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(OC)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(OC){1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]O)2(CCHH){1|C<3>,1|N<3>,1|O<1>}	121.5370	0.000	1	121.5370	0.000	1	122.4922	0.427	6	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]2)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|O<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(O){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|O<1>,1|O<2>}	123.4110	0.000	1	123.4110	0.000	1	122.4922	0.427	6	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CCCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	C[6](C[6]C[6]O)2(CCCH){1|O<1>,2|C<3>}	122.6010	0.359	3	122.6010	0.129	3	122.4922	0.427	6	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|C<4>,1|O<1>}	122.2020	0.000	1	122.2020	0.000	1	122.4922	0.427	6	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a]){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(CH3){1|O<1>,2|C<3>}	121.8291	0.818	14	121.8291	0.669	14	121.8291	0.669	14	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:S-2:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(SC)	C[6](N[6]C[6]Ni)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(SC){1|Ni<5>,1|C<3>,1|S<2>}	C[6](N[6]C[6]Ni)(C[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)2(CH3){1|N<3>,2|H<1>}	119.7765	0.180	2	119.7765	0.033	2	119.7765	0.033	2	122.2499	2.602	67	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O){1|C<4>,1|H<1>,2|C<3>}	119.6400	0.000	1	119.6400	0.000	1	120.5473	0.622	3	120.8134	1.056	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]O)(H){1|O<2>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	121.0010	0.099	2	121.0010	0.010	2	120.5473	0.622	3	120.8134	1.056	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,5,6]S[5]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(OC){1|C<4>,1|S<2>,2|H<1>}	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,5,6]S[5]H)(C[6]C[6]O)(H){1|H<1>,1|N<3>,3|C<3>}	121.4110	0.181	2	121.4110	0.033	2	121.4110	0.033	2	120.8134	1.056	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]HY)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|Y<14>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Y<14>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]HY)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	118.7010	0.000	1	118.7010	0.000	1	119.9575	0.726	4	120.8134	1.056	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]NiH)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|Ni<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ni<3>,1|Ni<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]O)(H){1|Ni<3>,1|C<3>,1|H<1>}	120.3100	0.000	1	120.3100	0.000	1	119.9575	0.726	4	120.8134	1.056	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]TaN)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|Ta<12>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ta<12>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TaN)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	120.4095	0.255	2	120.4095	0.065	2	119.9575	0.726	4	120.8134	1.056	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6,6]C[6])(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]C[6])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6,6]C[6,6]O[6]C)(C[6]C[6]O)(H){1|O<1>,3|C<3>}	121.3735	0.207	2	121.3735	0.043	2	121.3735	0.043	2	120.8134	1.056	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	N[5,6]-3:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]N[5,6]O)(OC)	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]O)(O)	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]N[5,6]O)(OC){2|C<3>,2|C<4>}	C[6](N[5,6]C[5,5,6]C[5])(C[6]C[6]O)(O){1|C<4>,1|H<1>,2|C<3>,2|N<3>}	C[6](C[5,6]C[5,5,6]C[5,6a]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|N<3>}	122.7200	0.000	1	122.7200	0.000	1	122.7200	0.000	1	120.8134	1.056	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:O-1:	S[6]-4:C[6]-3:S-2:	C[6](C[6]C[6,6a]O)(C[6]S[6]S)(SC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6](S[6]C[6,6a]OO)(C[6]C[6]S)(SC[6a])	C[6](C[6]C[6,6a]O)(C[6]S[6]S)(SC[6a]){2|C<3>,2|O<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|S<2>,1|S<4>,2|C<3>}	C[6](S[6]C[6,6a]OO)(C[6]C[6]S)(SC[6a]){1|O<1>,2|C<3>}	123.0320	0.000	1	123.0320	0.000	1	123.0320	0.000	1	122.0715	1.845	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:S-2:	N[6,6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]N[6,6]O)(C[6]C[6]O)(SC)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]S)(O)	C[6](C[6]C[6,6]CH)(C[6]C[6]S)(OC)	C[6](C[6]N[6,6]O)(C[6]C[6]O)(SC){1|H<1>,3|C<4>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]S)(O){1|C<3>,1|O<2>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]CH)(C[6]C[6]S)(OC){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	121.1110	0.000	1	121.1110	0.000	1	121.1110	0.000	1	122.0715	1.845	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6])	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6]){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	118.5300	0.000	1	118.5300	0.000	1	118.5300	0.000	1	118.5300	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|C<4>,1|O<2>}	120.0040	0.000	1	120.0040	0.000	1	120.0040	0.000	1	118.4690	3.176	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]S)(C[6]O[6]H)(OZn)	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn)	C[6](C[6]C[6]O)(O[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]O[6]H)(OZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(H){1|C<3>,1|C<4>,1|S<2>}	116.4630	0.000	1	116.4630	0.000	1	116.4630	0.000	1	118.4690	3.176	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu)	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu){1|C<2>,1|H<1>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|S<2>}	118.7045	1.743	2	118.7045	3.038	2	118.7045	3.038	2	118.4690	3.176	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]O)2(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<2>,1|C<4>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(OC){1|C<3>,1|C<4>,1|O<2>}	119.0790	0.000	1	119.0790	0.000	1	119.0790	0.000	1	119.0790	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(OCo)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(OCo){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	118.8430	0.000	1	118.8430	0.000	1	118.7065	0.214	8	118.8551	0.386	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(OCu)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCu)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(OCu){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCu){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	118.8015	0.730	2	118.8015	0.534	2	118.7065	0.214	8	118.8551	0.386	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(OFe)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OFe)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(OFe){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OFe){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	118.9920	0.000	1	118.9920	0.000	1	118.7065	0.214	8	118.8551	0.386	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(OMn)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OMn)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(OMn){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OMn){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	118.2260	0.000	1	118.2260	0.000	1	118.7065	0.214	8	118.8551	0.386	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6a]-3:O[6]-2:C[6]-3:	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(ONi)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(ONi)	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O)	C[6](C[6]C[6a]O[6])(C[6]C[6,6a]O)(ONi){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(ONi){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(O[6]C[6,6a])(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	118.6627	0.551	3	118.6627	0.303	3	118.7065	0.214	8	118.8551	0.386	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:S[6]-2:C-3:	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]O)(S[6]C[6])(CHO)	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]O)(S[6]C[6])(CHO){1|C<3>,1|H<1>,1|S<2>}	120.0440	0.000	1	120.0440	0.000	1	120.0440	0.000	1	118.8551	0.386	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]O)(C[6]O[6]C)(OAl)	C[6](C[6]C[6]H)(C[6]C[6]O)(OAl)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C[6](C[6]C[6]O)(C[6]O[6]C)(OAl){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OAl){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	119.8920	0.660	3	119.8920	0.436	3	119.5263	0.709	18	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]O)(C[6]O[6]C)(OAl)	C[6](C[6]C[6]H)(C[6]C[6]O)(OAl)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]O)(C[6]O[6]C)(OAl){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OAl){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	119.5388	0.535	6	119.5388	0.286	6	119.5263	0.709	18	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]O)(C[6]O[6]C)(OCu)	C[6](C[6]C[6]H)(C[6]C[6]O)(OCu)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]O)(C[6]O[6]C)(OCu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OCu){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	118.2360	0.000	1	118.2360	0.000	1	119.5263	0.709	18	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]O)(C[6]O[6]C)(OFe)	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C[6](C[6]C[6]O)(C[6]O[6]C)(OFe){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	119.8590	0.514	3	119.8590	0.264	3	119.5263	0.709	18	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]O)(C[6]O[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]O)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	119.1970	0.000	1	119.1970	0.000	1	119.5263	0.709	18	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]O)(C[6]O[6]C)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]O)(ONi)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]O)(C[6]O[6]C)(ONi){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(ONi){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	119.4130	0.000	1	119.4130	0.000	1	119.5263	0.709	18	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]O)(C[6]O[6]C)(OSn)	C[6](C[6]C[6]H)(C[6]C[6]O)(OSn)	C[6](C[6]C[6]O)(O[6]C[6])(CCHH)	C[6](C[6]C[6]O)(C[6]O[6]C)(OSn){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OSn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	120.3405	1.059	2	120.3405	1.121	2	119.5263	0.709	18	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]O)(C[6]O[6]C)(OSn)	C[6](C[6]C[6]H)(C[6]C[6]O)(OSn)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]O)(C[6]O[6]C)(OSn){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OSn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|O<2>}	117.4610	0.000	1	117.4610	0.000	1	119.5263	0.709	18	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]O[6]C)(OCo)	C[6](C[6]C[6]H)(C[6]C[6]O)(SCo)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]O[6]C)(OCo){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SCo){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	118.0960	0.095	2	118.0960	0.009	2	118.4779	0.613	19	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]O[6]C)(OCu)	C[6](C[6]C[6]H)(C[6]C[6]O)(SCu)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]O[6]C)(OCu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SCu){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	117.1750	0.000	1	117.1750	0.000	1	118.4779	0.613	19	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]O[6]C)(OFe)	C[6](C[6]C[6]H)(C[6]C[6]O)(SFe)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]O[6]C)(OFe){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SFe){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	118.7160	0.347	6	118.7160	0.120	6	118.4779	0.613	19	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]O[6]C)(OMo)	C[6](C[6]C[6]H)(C[6]C[6]O)(SMo)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]O[6]C)(OMo){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SMo){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	119.1917	1.069	4	119.1917	1.143	4	118.4779	0.613	19	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]O[6]C)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]O)(SNi)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]O[6]C)(ONi){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SNi){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	118.6320	0.331	2	118.6320	0.110	2	118.4779	0.613	19	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]O[6]C)(ORu)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]O[6]C)(ORu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	118.2430	0.000	1	118.2430	0.000	1	118.4779	0.613	19	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]O[6]C)(OZn)	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]O[6]C)(OZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	117.7143	0.576	3	117.7143	0.331	3	118.4779	0.613	19	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:S[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]O)(S[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]O)(S[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	119.8400	0.000	1	119.8400	0.000	1	120.5803	0.464	3	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:S[6]-2:C-4:	C[6](C[6]C[6]S)(C[6]S[6]C)(OZn)	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn)	C[6](C[6]C[6]O)(S[6]C[6])(CH3)	C[6](C[6]C[6]S)(C[6]S[6]C)(OZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]O)(S[6]C[6])(CH3){1|C<3>,1|H<1>,1|S<2>}	120.9505	0.325	2	120.9505	0.105	2	120.5803	0.464	3	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Se-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]Se)(C[6]O[6]C)(OCu)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeCu)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]Se)(C[6]O[6]C)(OCu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SeCu){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|Se<2>,1|C<3>,1|H<1>}	118.2190	0.000	1	118.2190	0.000	1	117.8265	0.107	6	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Se-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]Se)(C[6]O[6]C)(OFe)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeFe)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]Se)(C[6]O[6]C)(OFe){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SeFe){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|Se<2>,1|C<3>,1|H<1>}	117.6620	0.000	1	117.6620	0.000	1	117.8265	0.107	6	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Se-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]Se)(C[6]O[6]C)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeNi)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]Se)(C[6]O[6]C)(ONi){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SeNi){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|Se<2>,1|C<3>,1|H<1>}	118.0150	0.253	2	118.0150	0.064	2	117.8265	0.107	6	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Se-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]Se)(C[6]O[6]C)(OZn)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeZn)	C[6](C[6]C[6]O)(O[6]C[6])(CH3)	C[6](C[6]C[6]Se)(C[6]O[6]C)(OZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SeZn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(O[6]C[6])(CH3){1|Se<2>,1|C<3>,1|H<1>}	117.5240	0.190	2	117.5240	0.036	2	117.8265	0.107	6	118.9403	1.118	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:C-2:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(C[6]C[6,6a]O)(CN)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(CN)	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C)(C[6]C[6,6a]O)(CN){3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(CN){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6,6a]C[6,6a,6a]C[6a])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	120.9230	0.000	1	120.9230	0.000	1	120.9230	0.000	1	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]C)(C[6]C[6]F)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)2(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(CN){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|F<1>}	C[6](C[6]C[6]C)2(F){1|C<3>,2|C<2>}	119.5930	0.000	1	119.5930	0.000	1	119.5930	0.000	1	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]F)(CN)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|F<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(CN){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<2>,1|C<3>,1|C<4>}	122.0940	0.000	1	122.0940	0.000	1	122.1375	0.405	32	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<2>,2|C<3>}	120.2320	0.000	1	120.2320	0.000	1	122.1375	0.405	32	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|N<3>}	123.0410	0.000	1	123.0410	0.000	1	122.1375	0.405	32	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<2>,1|C<3>}	122.2161	0.535	26	122.1736	0.288	29	122.1375	0.405	32	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<2>,1|C<3>}	121.8050	0.478	3	122.1736	0.288	29	122.1375	0.405	32	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CN){1|C<3>,2|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|O<2>}	121.4840	0.000	1	121.4840	0.000	1	121.9880	0.508	2	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|Cl<1>,1|C<3>,1|O<2>}	122.4920	0.000	1	122.4920	0.000	1	121.9880	0.508	2	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:C[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6])	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,1|C<4>,2|C<3>}	121.8420	0.000	1	121.8420	0.000	1	121.8420	0.000	1	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(SC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(SC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|O<1>,1|S<2>}	116.5870	0.000	1	116.5870	0.000	1	116.5870	0.000	1	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[5,6]C[5,6]N[5])(C[6]C[6]O)(OC){1|C<4>,1|O<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	120.0590	0.000	1	120.0590	0.000	1	120.0590	0.000	1	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]Cl)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(Cl)	C[6](C[6]C[6,6a]N)(C[6]C[6]Cl)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(Cl){1|N<2>,2|C<3>}	122.5510	0.709	2	122.5510	0.502	2	122.5510	0.502	2	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6,6a]N)(C[6]C[6]I)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(I)	C[6](C[6]C[6,6a]N)(C[6]C[6]I)(OH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(NO){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(I){1|N<2>,2|C<3>}	121.2510	0.000	1	121.2510	0.000	1	121.2510	0.000	1	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OCd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCd)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OCd){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCd){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	117.8010	0.000	1	117.8010	0.000	1	118.1407	1.401	4	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OCo)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OCo){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	116.6350	0.000	1	116.6350	0.000	1	118.1407	1.401	4	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OIr)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OIr)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(OIr){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OIr){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(H){1|O<2>,2|C<3>}	119.0635	0.342	2	119.0635	0.117	2	118.1407	1.401	4	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH){1|Cl<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	118.0260	0.000	1	118.0260	0.000	1	116.4797	1.794	3	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OLi)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OLi){1|Cl<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<3>,1|O<1>}	115.7065	0.018	2	115.7065	0.000	2	116.4797	1.794	3	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OBe)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OBe)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OBe){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OBe){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	121.2103	0.139	4	121.2103	0.019	4	120.1914	0.524	28	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OCu)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OCu)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OCu){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OCu){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	119.7328	0.704	6	119.7328	0.496	6	120.1914	0.524	28	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OFe){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(OFe){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	120.2387	0.485	16	120.2387	0.235	16	120.1914	0.524	28	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(ONi)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(ONi)	C[6](C[6]C[6]O)2(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(ONi){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(ONi){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)2(Cl){1|C<3>,1|O<1>,1|O<2>}	119.1505	0.687	2	119.1505	0.471	2	120.1914	0.524	28	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OAl)	C[6](C[6]C[6]O)(C[6]O[6]C)(OAl)	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OAl){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]O[6]C)(OAl){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	117.9696	0.561	9	117.9696	0.315	9	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<2>}	120.0050	0.000	1	120.0050	0.000	1	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Pd<5>,1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[6]O)2(H){1|Pd<5>,1|C<3>,1|C<5>,1|O<2>}	120.9840	0.000	1	120.9840	0.000	1	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	118.5030	0.000	1	118.5030	0.000	1	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OCu)	C[6](C[6]C[6]O)(C[6]O[6]C)(OCu)	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OCu){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]O[6]C)(OCu){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	116.5410	0.000	1	116.5410	0.000	1	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<1>,1|O<2>}	120.4728	0.247	6	120.4728	0.061	6	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	117.9738	0.499	6	117.9738	0.249	6	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]O)(C[6]O[6]C)(OFe)	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]O[6]C)(OFe){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	116.6150	0.543	3	116.6150	0.295	3	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|N<3>,2|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	118.1990	0.000	1	118.1990	0.000	1	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.1340	0.370	3	118.1340	0.137	3	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)(C[6]O[6]C)(OH)	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]O[6]C)(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	118.0350	0.000	1	118.0350	0.000	1	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]O)(ONi)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(ONi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(ONi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|O<1>,1|O<2>}	119.5915	1.273	2	119.5915	1.622	2	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(ONi)	C[6](C[6]C[6]O)(C[6]O[6]C)(ONi)	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(ONi){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]O[6]C)(ONi){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	116.5200	0.000	1	116.5200	0.000	1	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OSn)	C[6](C[6]C[6]O)(C[6]O[6]C)(OSn)	C[6](C[6]C[6]O)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OSn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]O[6]C)(OSn){1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	117.0923	0.462	3	117.0923	0.214	3	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OZn)	C[6](C[6]C[6]O)(C[6]N[6]C)(OZn)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OZn){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(OZn){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	116.9740	0.000	1	116.9740	0.000	1	118.3218	1.833	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]O)2(OC){1|C<3>,2|O<1>}	C[6](C[6]C[6]O)2(OH){1|O<1>,2|C<3>}	C[6](C[6]C[6]O)2(O){1|O<2>,2|C<3>}	119.8610	0.331	2	119.8610	0.110	2	120.2460	0.441	7	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	120.3800	0.000	1	120.3800	0.000	1	120.2460	0.441	7	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]O)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(O){1|C<3>,2|O<2>}	120.4050	0.841	4	120.4050	0.707	4	120.2460	0.441	7	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)(N[6]C[6]H)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	119.1340	0.000	1	119.1340	0.000	1	119.2520	0.028	2	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)(N[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<2>}	119.3700	0.000	1	119.3700	0.000	1	119.2520	0.028	2	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:O[6]-2:	N[6]-3:C[6]-3:O-1:	C[6](C[6]N[6]O[6])(C[6]N[6]O)(OSi)	C[6](C[6]C[6]O)(N[6]C[6]2)(O[6]C[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]O)(O)	C[6](C[6]N[6]O[6])(C[6]N[6]O)(OSi){1|C<3>,3|C<4>}	C[6](C[6]C[6]O)(N[6]C[6]2)(O[6]C[6]){1|N<3>,1|O<1>,2|C<4>,6|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]O)(O){1|N<3>,1|O<2>,2|C<3>,2|H<1>}	119.9170	0.000	1	119.9170	0.000	1	119.9170	0.000	1	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(OH){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6]){1|C<4>,1|S<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<3>,1|C<4>,1|O<2>}	121.2790	0.000	1	121.2790	0.000	1	121.2790	0.000	1	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:P[6]-2:	C[6]-3:C[6]-3:P[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6])	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6])	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|C<4>,1|P<2>,2|C<3>}	119.8930	0.011	2	119.8930	0.000	2	119.8930	0.000	2	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6,6a]-3:C[6]-3:S-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(SC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(SC)	C[6](N[6]C[6,6a]H)(C[6]C[6]S)(H)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(SC){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(SC){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]H)(C[6]C[6]S)(H){1|S<2>,2|C<3>}	118.3050	0.284	2	118.3050	0.081	2	118.3050	0.081	2	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SCo)	C[6](C[6]C[6]S)(C[6]O[6]C)(OCo)	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SCo){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OCo){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	117.8455	0.746	2	117.8455	0.557	2	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SCu)	C[6](C[6]C[6]S)(C[6]O[6]C)(OCu)	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SCu){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OCu){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	118.5630	0.000	1	118.5630	0.000	1	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SFe)	C[6](C[6]C[6]S)(C[6]N[6]C)(OFe)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SFe){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.8780	0.000	1	118.8780	0.000	1	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SFe)	C[6](C[6]C[6]S)(C[6]O[6]C)(OFe)	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SFe){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OFe){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	117.2985	0.574	6	117.2985	0.329	6	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SIr)	C[6](C[6]C[6]S)(C[6]N[6]C)(OIr)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SIr){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(OIr){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	117.9120	0.000	1	117.9120	0.000	1	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SMo)	C[6](C[6]C[6]S)(C[6]O[6]C)(OMo)	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SMo){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OMo){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	117.8688	1.154	4	117.8688	1.332	4	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SNi)	C[6](C[6]C[6]S)(C[6]N[6]C)(ONi)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SNi){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(ONi){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.7810	0.088	2	118.7810	0.008	2	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SNi)	C[6](C[6]C[6]S)(C[6]O[6]C)(ONi)	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SNi){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(ONi){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	118.3620	0.768	2	118.3620	0.590	2	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SPb)	C[6](C[6]C[6]S)(C[6]N[6]C)(OPb)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SPb){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(OPb){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.1960	0.000	1	118.1960	0.000	1	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SRh)	C[6](C[6]C[6]S)(C[6]N[6]C)(ORh)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRh){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(ORh){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.3995	0.159	4	118.3995	0.025	4	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SRh)	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(ORh)	C[6](C[6]C[6]S)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRh){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(ORh){1|H<1>,3|C<3>}	C[6](C[6]C[6]S)(C[6]O[6]C)(H){1|C<3>,1|O<2>}	119.0160	0.000	1	119.0160	0.000	1	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.9860	0.911	2	118.9860	0.829	2	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]S)(C[6]O[6]C)(ORu)	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(ORu){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	118.1110	0.000	1	118.1110	0.000	1	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu)	C[6](C[6]C[6]S)(C[6]S[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]S[6]H)(H){1|C<3>,1|O<2>}	121.6640	0.000	1	121.7360	0.010	2	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu)	C[6](C[6]C[6]S)(C[6]S[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]S[6]C)(ORu){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]S[6]H)(H){1|C<3>,1|O<2>}	121.8080	0.000	1	121.7360	0.010	2	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(ORu)	C[6](C[6]C[6]S)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(ORu){1|H<1>,3|C<3>}	C[6](C[6]C[6]S)(C[6]O[6]C)(H){1|C<3>,1|O<2>}	119.0550	0.264	2	119.0550	0.070	2	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn)	C[6](C[6]C[6]S)(C[6]N[6]C)(OZn)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(OZn){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.4080	0.144	2	118.4080	0.021	2	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn)	C[6](C[6]C[6]S)(C[6]O[6]C)(OZn)	C[6](C[6]C[6]S)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]C)(OZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	117.5383	0.345	3	117.5383	0.119	3	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn)	C[6](C[6]C[6]S)(C[6]O[6]H)(OZn)	C[6](C[6]C[6]S)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]O[6]H)(OZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]O[6]C)(H){1|C<3>,1|O<2>}	117.8590	0.000	1	117.8590	0.000	1	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn)	C[6](C[6]C[6]S)(C[6]S[6]C)(OZn)	C[6](C[6]C[6]S)(C[6]S[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn){1|C<4>,1|H<1>,1|S<2>}	C[6](C[6]C[6]S)(C[6]S[6]C)(OZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]S[6]H)(H){1|C<3>,1|O<2>}	121.6535	0.484	2	121.6535	0.235	2	118.4917	1.686	40	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(SCu)	C[6](C[6]C[6]H)(C[6]C[6]S)(SCu)	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(SCu){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SCu){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,1|S<2>}	120.0600	0.153	2	120.0600	0.023	2	120.1386	0.366	5	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(SNi)	C[6](C[6]C[6]H)(C[6]C[6]S)(SNi)	C[6](C[6]C[6]O)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(SNi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SNi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,1|S<2>}	120.6770	0.044	2	120.6770	0.002	2	120.1386	0.366	5	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu)	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(SRu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|S<2>}	119.2190	0.000	1	119.2190	0.000	1	120.1386	0.366	5	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(SC)	C[6](C[6]C[6]O)(C[6]C[6]S)(SC)	C[6](C[6]C[6]S)2(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(SC){1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SC){1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]S)2(O){1|C<3>,2|S<2>}	119.2225	0.978	2	119.2225	0.956	2	119.2225	0.956	2	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SeCu)	C[6](C[6]C[6]Se)(C[6]O[6]C)(OCu)	C[6](C[6]C[6]Se)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeCu){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Se)(C[6]O[6]C)(OCu){1|C<3>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	118.1460	0.000	1	118.1460	0.000	1	118.5460	0.366	6	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SeFe)	C[6](C[6]C[6]Se)(C[6]O[6]C)(OFe)	C[6](C[6]C[6]Se)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeFe){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Se)(C[6]O[6]C)(OFe){1|C<3>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	118.2250	0.000	1	118.2250	0.000	1	118.5460	0.366	6	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SeNi)	C[6](C[6]C[6]Se)(C[6]O[6]C)(ONi)	C[6](C[6]C[6]Se)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeNi){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Se)(C[6]O[6]C)(ONi){1|C<3>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	119.3160	0.167	2	119.3160	0.028	2	118.5460	0.366	6	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:Se-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SeZn)	C[6](C[6]C[6]Se)(C[6]O[6]C)(OZn)	C[6](C[6]C[6]Se)(C[6]O[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeZn){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Se)(C[6]O[6]C)(OZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]Se)(C[6]O[6]H)(H){1|C<3>,1|O<2>}	118.1365	0.136	2	118.1365	0.019	2	118.5460	0.366	6	119.5993	3.334	185	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(OH){1|C<2>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CN){1|C<3>,1|N<3>,1|O<2>}	121.6900	0.085	2	121.6900	0.007	2	121.6900	0.007	2	119.8179	3.304	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH){1|Cl<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	120.8340	0.000	1	120.8340	0.000	1	121.6493	0.499	3	119.8179	3.304	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OLi)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OLi){1|Cl<1>,1|C<2>,1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<3>,1|O<2>}	122.0570	0.008	2	122.0570	0.000	2	121.6493	0.499	3	119.8179	3.304	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:C-2:	N[5,6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NH)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN)	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NH){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN){1|C<4>,1|N<2>,1|N<3>}	122.2280	0.000	1	122.2280	0.000	1	122.2280	0.000	1	119.8179	3.304	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(ORh)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(SRh)	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(ORh){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRh){1|C<3>,1|C<4>,1|O<2>}	117.7690	0.000	1	117.7690	0.000	1	117.7793	0.057	3	119.8179	3.304	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(ORu)	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6a]O[6])(C[6]C[6]S)(ORu){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)(O[6]C[6]){1|C<4>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<3>,1|C<4>,1|O<2>}	117.7845	0.339	2	117.7845	0.115	2	117.7793	0.057	3	119.8179	3.304	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:S-2:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(SC)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(SC){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	118.9245	0.148	2	118.9245	0.022	2	118.7112	0.089	5	119.8179	3.304	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:S-2:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(SH)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(SH){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	118.8410	0.000	1	118.8410	0.000	1	118.7112	0.089	5	119.8179	3.304	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:S-2:	C[5a]-3:C[6]-3:O[6]-2:	C[5a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[5a]O[6])2(SS)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6])	C[6](C[6]C[5a]O[6])2(SS){1|B<4>,2|C<3>,2|N<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	C[6](C[5a]C[5a]N[5a])(C[6]C[6]S)(O[6]B[6]){1|O<2>,2|F<1>,2|H<1>,3|C<3>}	118.4330	0.269	2	118.4330	0.072	2	118.7112	0.089	5	119.8179	3.304	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe)	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]O)(N[6]C[6]C)(CNO)	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CNO){1|C<3>,1|C<4>,1|O<2>}	119.3727	0.786	3	119.3727	0.618	3	119.3727	0.618	3	119.3727	0.618	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:N-2:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]O[6])(C[6]N[6]C)(NN)	C[6](C[6a]C[6a]2)(C[6]C[6]N)(O[6]B[6])	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3)	C[6](C[6]C[6a]O[6])(C[6]N[6]C)(NN){1|B<4>,1|C<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]N)(O[6]B[6]){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3){1|O<2>,3|C<3>}	117.3100	0.000	1	117.3100	0.000	1	117.3100	0.000	1	119.3330	2.561	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OOs)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OOs)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OOs){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OOs){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>}	120.3870	0.000	1	120.3870	0.000	1	120.3870	0.000	1	119.3330	2.561	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]O)(C[6]N[6]C)(OZn)	C[6](C[6]C[6]H)(C[6]C[6]O)(OZn)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]C)(OZn){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OZn){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	120.4980	0.000	1	120.4980	0.000	1	120.4980	0.000	1	119.3330	2.561	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]S)(C[6]N[6]C)(OFe)	C[6](C[6]C[6]H)(C[6]C[6]O)(SFe)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SFe){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	118.5970	0.000	1	118.5970	0.000	1	118.7588	0.383	13	119.3330	2.561	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]S)(C[6]N[6]C)(OIr)	C[6](C[6]C[6]H)(C[6]C[6]O)(SIr)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(OIr){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SIr){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	119.6670	0.000	1	119.6670	0.000	1	118.7588	0.383	13	119.3330	2.561	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]S)(C[6]N[6]C)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]O)(SNi)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(ONi){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SNi){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	119.0615	0.036	2	119.0615	0.001	2	118.7588	0.383	13	119.3330	2.561	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]S)(C[6]N[6]C)(OPb)	C[6](C[6]C[6]H)(C[6]C[6]O)(SPb)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(OPb){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SPb){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	117.3420	0.000	1	117.3420	0.000	1	118.7588	0.383	13	119.3330	2.561	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]S)(C[6]N[6]C)(ORh)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRh)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(ORh){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRh){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	118.9982	0.283	4	118.9982	0.080	4	118.7588	0.383	13	119.3330	2.561	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	118.9530	0.376	2	118.9530	0.142	2	118.7588	0.383	13	119.3330	2.561	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]S)(C[6]N[6]C)(OZn)	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(OZn){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SZn){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<2>}	118.1185	0.228	2	118.1185	0.052	2	118.7588	0.383	13	119.3330	2.561	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]S)(SPt)	C[6](C[6]C[6]C)(C[6]C[6]S)(SPt)	C[6](C[6]C[6]O)(C[6]C[6]S)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]S)(SPt){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(SPt){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(CC3){1|C<3>,1|O<1>,1|S<2>}	122.9670	1.293	2	122.9670	1.671	2	122.9670	1.671	2	119.3330	2.561	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	2:3:3:	C[6]-3:C[6]-3:Se-2:	C[6,6a]-3:C[6]-3:C-3:	Se[6]-2:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]Se[6])(C[6]C[6,6a]C)(SeC[6a])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(CHH)	C[6](Se[6]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]Se)	C[6](C[6]C[6a]Se[6])(C[6]C[6,6a]C)(SeC[6a]){4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Se)(CHH){1|Se<2>,1|H<1>,3|C<3>}	C[6](Se[6]C[6,6a])(C[6a]C[6a]2)(C[6]C[6]Se){2|H<1>,5|C<3>}	124.7580	0.000	1	124.7580	0.000	1	124.7580	0.000	1	124.7580	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|Br<1>,2|C<3>}	119.5490	0.000	1	119.5490	0.000	1	119.5490	0.000	1	119.7300	1.451	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(OH)	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|C<3>,1|S<3>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|O<2>,1|S<3>}	118.6260	0.000	1	118.6260	0.000	1	118.6260	0.000	1	119.7300	1.451	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:O-2:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(OC[6a])	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(OC[6a]){1|H<1>,3|C<3>}	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	121.0150	0.000	1	121.0150	0.000	1	121.0150	0.000	1	119.7300	1.451	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:2:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(OMg)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]O)(C[6]C[6])(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(OMg){1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(OC){2|C<3>,2|H<1>}	116.3550	0.000	1	116.3550	0.000	1	116.3550	0.000	1	116.3550	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]N[6]O)(CN)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|O<1>,2|C<3>}	121.5417	0.388	6	121.5417	0.151	6	121.5417	0.151	6	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:S-1:	C[6](C[6]C[6]N)(C[6]N[6]S)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	C[6](C[6]C[6]N)(C[6]N[6]S)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|S<1>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<3>,2|N<3>}	120.8975	0.853	2	120.8975	0.728	2	120.8975	0.728	2	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:S-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]S)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	C[6](C[6]C[6a]C[6])(C[6]N[6]S)(CN){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<4>,2|C<3>}	122.3360	0.000	1	122.3360	0.000	1	122.3360	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CN)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CN){3|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NHH){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|N<3>}	118.7170	0.000	1	118.7170	0.000	1	118.7170	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-2:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(CC)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]H)(CC){1|Cu<4>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,2|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	117.8000	0.000	1	117.8000	0.000	1	117.8000	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	116.8270	0.000	1	116.8270	0.000	1	117.6880	1.483	2	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6]N)2(CC[6a]O)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(CC[6a]O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	118.5490	0.000	1	118.5490	0.000	1	117.6880	1.483	2	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|N<3>,1|O<1>}	118.4980	0.000	1	118.4980	0.000	1	118.0780	0.501	3	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	117.2610	0.000	1	117.2610	0.000	1	118.0780	0.501	3	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	118.4750	0.000	1	118.4750	0.000	1	118.0780	0.501	3	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6])	C[6](C[6]C[6]H)(C[6]C[6]N)(PCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(PCC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|P<3>,2|C<3>}	116.2930	1.092	2	116.2930	1.192	2	116.2930	1.192	2	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	118.5650	0.000	1	118.5650	0.000	1	118.5650	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NN)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(NN){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){3|N<3>}	117.4652	0.437	5	117.4652	0.191	5	117.4652	0.191	5	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(NO)	C[6](N[6]C[6]Sr)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]C)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NO){1|Sr<10>,2|C<4>}	C[6](N[6]C[6]Sr)(C[6]C[6]N)(NHH){1|N<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)(N[6]C[6]C)(O){1|Sr<10>,1|O<2>,2|N<3>}	117.7840	0.000	1	117.7840	0.000	1	117.7840	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[4a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4a]C[6])(C[6]C[6]H)(OH)	C[6](C[4a]C[4a]2)(C[6]C[6]O)2	C[6](C[6]C[6]N[5])(C[6]C[6]O)(H)	C[6](C[6]C[4a]C[6])(C[6]C[6]H)(OH){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[4a]C[4a]2)(C[6]C[6]O)2{1|H<1>,2|C<3>,2|O<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]O)(H){1|C<4>,3|C<3>}	121.0390	0.000	1	121.0390	0.000	1	121.0390	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	C[6](C[5a]C[5a,6]S[5a])(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,1|S<2>,3|C<3>}	C[6](C[5a]C[5a,6]S[5a])(C[6]C[6]O)2{1|O<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|O<2>,1|S<2>,3|C<3>}	121.4640	0.000	1	121.4640	0.000	1	121.6568	0.211	5	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	121.8880	0.387	2	121.7050	0.265	4	121.6568	0.211	5	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,4|C<3>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	121.5220	0.716	2	121.7050	0.265	4	121.6568	0.211	5	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	120.9980	0.000	1	120.9980	0.000	1	119.1369	7.156	8	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	118.8110	0.000	1	118.8110	0.000	1	119.1369	7.156	8	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(H){1|H<1>,2|C<3>}	121.5590	0.000	1	121.5590	0.000	1	119.1369	7.156	8	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	119.5100	0.000	1	119.5100	0.000	1	119.1369	7.156	8	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	119.4510	0.000	1	119.4510	0.000	1	119.1369	7.156	8	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OP)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	122.2790	0.000	1	122.2790	0.000	1	119.1369	7.156	8	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn)	C[6](C[6]C[6]O)(C[6]N[6]H)(COO)	C[6](C[6]C[6]O)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]C)(H){1|C<4>,2|C<3>}	115.2435	0.476	2	115.2435	0.226	2	119.1369	7.156	8	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(OCu)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]O)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(OCu){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	116.7275	0.100	2	116.7275	0.010	2	116.7275	0.010	2	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OCo)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OCo){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O){1|O<2>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|H<1>,4|C<3>}	119.7595	0.207	2	119.7595	0.043	2	119.7595	0.043	2	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)2	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(OC){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)2{1|Ag<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){2|C<3>}	119.7450	0.000	1	119.7450	0.000	1	119.7450	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]C[6]O)(OH)	C[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)2{2|O<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|O<2>,2|C<3>}	122.4590	0.000	1	122.4590	0.000	1	122.4590	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(OCu)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCuC)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OCu){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NCuC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	119.4790	0.000	1	119.4790	0.000	1	119.2627	1.338	10	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	120.9090	0.000	1	120.9090	0.000	1	119.2627	1.338	10	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]O)(NNiC)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(ONi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NNiC){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|N<2>,1|N<3>}	118.9590	0.000	1	118.3337	0.296	3	119.2627	1.338	10	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(ONi)	C[6](C[6]C[6]H)(C[6]C[6]O)(NNiC)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(ONi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NNiC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	118.0210	0.072	2	118.3337	0.296	3	119.2627	1.338	10	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(OPd)	C[6](C[6]C[6]H)(C[6]C[6]O)(NPdC)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OPd){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NPdC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	120.0247	1.293	3	120.0247	1.671	3	119.2627	1.338	10	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(OPt)	C[6](C[6]C[6]H)(C[6]C[6]O)(NPtC)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OPt){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NPtC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|N<3>}	118.5820	0.300	2	118.5820	0.090	2	119.2627	1.338	10	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N[6])(C[6]C[6]O)(OC)	C[6](C[6]C[6]O)2(N[6]C[6]2)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(OC){1|C<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6]O)2(N[6]C[6]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<2>,1|C<3>,1|N<3>}	120.1580	0.000	1	120.1580	0.000	1	120.1580	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]S)(OH)	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(OH){1|Cl<1>,1|C<3>,1|S<3>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<3>,1|O<1>,1|S<3>}	117.7010	0.000	1	117.7010	0.000	1	117.7010	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6]O)(OC)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]O)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]O)(OC){1|O<1>,4|C<3>}	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[5a,6]C[6,6])(C[6]C[6]O)(O){1|N<3>,4|C<3>}	122.0720	0.000	1	122.0720	0.000	1	122.0720	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(OH)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(OH){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	122.7100	0.000	1	122.7100	0.000	1	122.7100	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OC)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OC){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	119.0719	0.640	9	119.0719	0.410	9	119.4576	0.589	19	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OH){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	120.1220	0.595	4	120.1220	0.354	4	119.4576	0.589	19	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OH)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OH){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	119.6275	0.445	2	119.6275	0.198	2	119.4576	0.589	19	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OOs)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OOs){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]O){1|Os<6>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	118.8035	0.457	2	118.8035	0.209	2	119.4576	0.589	19	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OP[6])	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(OP[6]){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	120.3485	0.503	2	120.3485	0.253	2	119.4576	0.589	19	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(OH)	C[6](C[6]C[6]O)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|N<3>}	119.4972	0.564	4	119.4972	0.318	4	119.3270	0.384	5	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(OSn)	C[6](C[6]C[6]O)(N[6]C[6]H)(NSnH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(OSn){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(NSnH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|N<3>}	118.6460	0.000	1	118.6460	0.000	1	119.3270	0.384	5	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<2>,4|C<3>}	122.4450	0.000	1	122.4450	0.000	1	122.4450	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(OH)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(OH){1|O<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	123.8840	0.000	1	123.8840	0.000	1	123.8840	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OC)	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OC){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Pt)(C[6]C[6]O){3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	120.2940	0.000	1	120.2940	0.000	1	118.3944	1.165	7	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Cu)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	118.2660	0.000	1	118.2660	0.000	1	118.3944	1.165	7	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Os)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH){1|Os<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Os)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	119.4160	0.000	1	118.3240	2.385	2	118.3944	1.165	7	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Os)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Os)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	117.2320	0.000	1	118.3240	2.385	2	118.3944	1.165	7	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	117.6500	0.000	1	117.7445	0.018	2	118.3944	1.165	7	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Ru)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	117.8390	0.000	1	117.7445	0.018	2	118.3944	1.165	7	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(OH){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Zn)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	118.0640	0.000	1	118.0640	0.000	1	118.3944	1.165	7	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(OC)	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(OC){1|H<1>,2|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]O)(NCH){2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|H<1>,2|N<3>}	121.5660	0.000	1	121.5660	0.000	1	121.5660	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]N[5])(SC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N[5])(SC[6a]){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|N<3>,3|C<3>}	121.3070	0.000	1	121.3070	0.000	1	121.3070	0.000	1	119.4992	3.254	94	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[5,6]-3:C[6a]-3:C[6]-3:	N[6,6]-3:C[6]-3:N-2:	C[6](C[6]C[5,6]C[6a])(C[6]N[6,6]N)(CN)	C[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH)	C[6](C[6]C[5,6]C[6a])(C[6]N[6,6]N)(CN){5|C<3>}	C[6](C[5,6]C[5,6,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|O<1>,2|H<1>,2|N<3>,3|C<3>}	C[6](N[6,6]C[5,6,6]C[6,6a])(C[6]C[6]C)(NH){5|C<3>}	125.6717	0.108	3	125.6717	0.012	3	125.6717	0.012	3	122.0069	8.909	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){1|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|H<1>,2|C<3>}	124.2560	0.000	1	124.2560	0.000	1	124.2560	0.000	1	122.0069	8.909	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:	N[6,6]-3:C[6]-3:N-2:	C[6](C[6]C[6a]C[6])(C[6]N[6,6]N)(CN)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH)	C[6](C[6]C[6a]C[6])(C[6]N[6,6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(NH){1|C<4>,2|H<1>,3|C<3>}	123.4110	0.000	1	123.4110	0.000	1	123.4110	0.000	1	122.0069	8.909	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<4>,2|C<3>}	123.2043	0.093	3	123.0392	0.115	4	123.0392	0.115	4	122.0069	8.909	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<4>,2|C<3>}	122.5440	0.000	1	123.0392	0.115	4	123.0392	0.115	4	122.0069	8.909	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-2:	N[5,6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN)	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN)	C[6](C[6]N[5,6]N)(C[6]C[6]C)(CN){1|H<1>,2|C<3>}	C[6](N[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(NHH){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(CN){1|C<4>,2|N<3>}	120.4340	0.000	1	120.4340	0.000	1	120.4340	0.000	1	122.0069	8.909	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OCo)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OCo){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O){1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(OCo){1|H<1>,4|C<3>}	119.8070	0.000	1	119.8070	0.000	1	119.8070	0.000	1	122.0069	8.909	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]N)2(OBa)	C[6](C[6]C[6]O)2(NBaO)	C[6](C[6]C[6]O)2(NO)	C[6](C[6]C[6]N)2(OBa){1|C<3>,2|O<1>}	C[6](C[6]C[6]O)2(NBaO){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]O)2(NO){1|C<3>,1|C<4>,1|N<3>}	115.6510	0.000	1	115.6510	0.000	1	115.6510	0.000	1	122.0069	8.909	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe)	C[6](N[6]C[3]C[6])(C[6]C[6]O)(CNO)	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe)	C[6](C[6]C[6]O)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[3]C[6])(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OFe){1|C<3>,1|C<4>,1|N<3>}	119.1243	0.259	3	119.1243	0.067	3	119.1243	0.067	3	122.0069	8.909	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(CC)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H)	C[6](C[6]C[6]C)(C[6]C[6]N)(CC){1|C<4>,1|N<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]O[6]C)(CCO){1|C<3>,1|N<3>}	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	118.6890	0.000	1	118.6890	0.000	1	118.6890	0.000	1	118.7172	2.190	34	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH){1|C<4>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|C<4>,2|C<3>}	122.3020	0.000	1	122.3020	0.000	1	122.3020	0.000	1	118.7172	2.190	34	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[6]-3:N-3:	C[6](C[6]C[6a]C[6])(C[6]N[5,6]N)(CN)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6])(C[6]N[5,6]N)(CN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(NHH){2|C<3>,2|C<4>,2|H<1>}	119.4900	0.000	1	119.4900	0.000	1	119.4900	0.000	1	118.7172	2.190	34	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]N)(NHH){3|C<3>}	119.8265	0.503	2	119.8265	0.253	2	119.8265	0.253	2	118.7172	2.190	34	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CN){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){2|H<1>,6|C<3>}	118.5010	0.000	1	118.5010	0.000	1	118.5010	0.000	1	118.7172	2.190	34	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CCN)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CCN){3|C<3>}	C[6](C[6]C[6]O)2(CCO){3|C<3>}	122.3650	0.000	1	122.3650	0.000	1	122.2245	0.039	2	118.7172	2.190	34	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CCO){3|C<3>}	C[6](C[6]C[6]O)2(CCO){3|C<3>}	122.0840	0.000	1	122.0840	0.000	1	122.2245	0.039	2	118.7172	2.190	34	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	116.7924	0.274	7	116.7924	0.075	7	118.2038	0.983	26	118.7172	2.190	34	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(OH)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	118.7321	0.543	18	118.7238	0.280	19	118.2038	0.983	26	118.7172	2.190	34	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(OH)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(OH){1|C<3>,2|O<1>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	118.5760	0.000	1	118.7238	0.280	19	118.2038	0.983	26	118.7172	2.190	34	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(NV)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)2(NV){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|C<3>}	121.3345	1.107	2	121.3345	1.225	2	121.3345	1.225	2	120.8120	8.374	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[5]C[6])(C[6]N[6]C)(OH)	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	120.6040	0.000	1	120.6040	0.000	1	120.6040	0.000	1	120.8120	8.374	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(OC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,1|C<4>,1|P<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|P<3>,2|C<3>}	123.3085	0.066	2	123.3085	0.004	2	124.5035	1.288	6	120.8120	8.374	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]O)2(CC[6]HH)	C[6](C[6]C[6]C)2(OC){1|C<4>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,1|O<2>,2|C<3>}	125.5233	0.078	3	125.5233	0.006	3	124.5035	1.288	6	120.8120	8.374	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CCO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O)2(CH3){1|C<4>,1|O<2>,2|C<3>}	123.8340	0.000	1	123.8340	0.000	1	124.5035	1.288	6	120.8120	8.374	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(OCo)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(OCo){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	118.2040	0.000	1	118.2040	0.000	1	118.5260	1.018	8	120.8120	8.374	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(OCu)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(OCu){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	116.8430	0.000	1	116.8430	0.000	1	118.5260	1.018	8	120.8120	8.374	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	118.4417	0.179	3	118.4417	0.032	3	118.5260	1.018	8	120.8120	8.374	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	119.9035	0.248	2	119.9035	0.062	2	118.5260	1.018	8	120.8120	8.374	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(ONi)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(ONi){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|H<1>,2|C<3>}	118.0290	0.000	1	118.0290	0.000	1	118.5260	1.018	8	120.8120	8.374	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:S-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu2)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu2){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<3>}	118.4630	0.868	2	118.4630	0.754	2	118.4630	0.754	2	120.8120	8.374	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,2|C<2>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|H<1>,3|C<3>}	121.5470	0.000	1	121.5470	0.000	1	121.5470	0.000	1	121.6248	0.117	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:N-3:	C[6](C[6]C[6a]C[6])(C[6]C[5,6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]N)(CN){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(NHH){1|O<1>,1|S<2>,3|H<1>,4|C<3>}	121.7930	0.000	1	121.7930	0.000	1	121.7930	0.000	1	121.6248	0.117	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(CN){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(NHH){1|C<4>,3|C<3>}	121.9750	0.000	1	121.9750	0.000	1	121.9750	0.000	1	121.6248	0.117	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(OH){1|H<1>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CC[6a]H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6a]H)(C[6]C[6]O)(COO){5|C<3>}	121.1840	0.000	1	121.1840	0.000	1	121.1840	0.000	1	121.6248	0.117	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]O)(N[6]C[6])(CHH)	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]O)(N[6]C[6])(CHH){1|C<3>,1|C<4>,1|H<1>}	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)2(NC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,2|C<4>}	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,2|C<4>}	121.1920	0.000	1	121.1920	0.000	1	121.1920	0.000	1	120.1012	4.192	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:N-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:O[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]O[6]C)(NN)	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3)	C[6](C[6]C[6]N)(O[6]B[6])(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(NN){1|B<4>,1|C<4>}	C[6](C[6]C[6]N)(N[6]B[6]C)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N)(O[6]B[6])(CH3){1|C<4>,1|N<3>,2|C<3>}	118.7865	0.042	2	118.7865	0.002	2	118.7865	0.002	2	120.1012	4.192	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:N-2:	N[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:C-4:	C[6](C[6]N[6]C)(C[6]O[6]C)(NN)	C[6](N[6]C[6a]B[6])(C[6]C[6]N)(CH3)	C[6](C[6]C[6]N)(O[6]B[6])(CH3)	C[6](C[6]N[6]C)(C[6]O[6]C)(NN){1|B<4>,1|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6]C[6]N)(O[6]B[6])(CH3){1|C<4>,1|N<3>,2|C<3>}	118.5320	0.000	1	118.5320	0.000	1	118.5320	0.000	1	120.1012	4.192	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2(OP[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]O)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2(OP[6]){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(CH3){1|C<3>,1|C<4>,1|H<1>}	123.2090	0.000	1	123.2090	0.000	1	123.2090	0.000	1	120.1012	4.192	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH)	C[6](C[6]C[6]C)2(CC[6a]HN)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>}	120.2850	0.000	1	120.2850	0.000	1	120.2850	0.000	1	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|F<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<2>,1|C<3>,1|C<4>}	122.4240	0.000	1	122.4240	0.000	1	122.4240	0.000	1	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(CN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCHH){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	121.0600	0.000	1	121.0600	0.000	1	121.0600	0.000	1	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:H-2:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(HO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3)	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(HO){1|Ru<6>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]Ru)(C[6]C[6]H)(H){1|C<4>,2|C<3>}	123.3240	0.000	1	123.3240	0.000	1	123.3240	0.000	1	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NC[6a]){1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H){1|C<3>,3|C<4>}	117.8060	0.000	1	117.8060	0.000	1	118.2322	0.605	4	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NN)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NN){1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CH3){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H){1|C<3>,3|C<4>}	117.5600	0.000	1	117.5600	0.000	1	118.2322	0.605	4	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NO)	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]H)(NO){1|H<1>,2|C<4>}	C[6](C[6,6]C[5,6]C[6,6])(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H){1|C<3>,3|C<4>}	118.7815	0.760	2	118.7815	0.578	2	118.2322	0.605	4	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	119.6770	0.000	1	119.6770	0.000	1	119.3970	0.157	2	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|O<1>}	119.1170	0.000	1	119.1170	0.000	1	119.3970	0.157	2	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6a]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(OH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(OH){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	123.5045	0.250	4	123.5045	0.062	4	123.5045	0.062	4	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH)	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	123.4110	0.419	2	123.4110	0.175	2	123.4110	0.175	2	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	120.2570	0.000	1	120.2570	0.000	1	122.2480	1.797	4	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){1|C<3>,5|C<4>}	122.9965	0.250	2	122.9117	0.053	3	122.2480	1.797	4	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]2)(C[6]C[6]O)(O){2|C<3>,4|C<4>}	122.7420	0.000	1	122.9117	0.053	3	122.2480	1.797	4	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|O<1>}	123.3250	0.655	2	123.3250	0.429	2	121.7082	1.366	10	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,1|C<4>,1|O<1>}	122.8660	0.000	1	122.8660	0.000	1	121.7082	1.366	10	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>}	121.3810	0.017	2	121.3810	0.000	2	121.7082	1.366	10	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)2(H){1|C<3>,2|C<4>}	121.0860	0.811	4	120.9608	0.572	5	121.7082	1.366	10	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]O)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	C[6](C[6]C[6]O)2(H){1|C<4>,2|C<3>}	120.4600	0.000	1	120.9608	0.572	5	121.7082	1.366	10	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	121.3300	0.367	4	121.3300	0.135	4	121.2422	0.112	6	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]O)2(O){1|C<3>,2|C<4>}	121.0665	0.247	2	121.0665	0.061	2	121.2422	0.112	6	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(NH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(NH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|N<4>}	119.7970	0.000	1	119.7970	0.000	1	119.7970	0.000	1	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>}	118.6475	0.459	8	118.6475	0.210	8	118.5318	0.305	9	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>}	117.6060	0.000	1	117.6060	0.000	1	118.5318	0.305	9	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](N[6]C[6]Cu)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>}	118.4990	0.000	1	118.4990	0.000	1	118.3230	0.297	3	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(OH)	C[6](N[6]C[6]Zn)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(OH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]O)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|N<3>,2|C<4>}	118.2350	0.740	2	118.2350	0.547	2	118.3230	0.297	3	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:S-1:	C[6](C[6]C[6]S)(C[6]N[6]C)(OH)	C[6](N[6]C[5]C[6])(C[6]C[6]O)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(S)	C[6](C[6]C[6]S)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>,1|S<1>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(S){1|C<4>,1|H<1>,1|N<3>}	122.5680	0.000	1	122.5680	0.000	1	122.5680	0.000	1	120.7461	3.932	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(NH)	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NH){1|C<3>,1|C<4>,1|H<1>}	123.4200	0.000	1	123.4200	0.000	1	123.4200	0.000	1	120.6665	2.653	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]N[6]O)(OIr)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[6]HH)	C[6](N[6]C[6]Ir)(C[6]C[6]O)(OIr)	C[6](C[6]C[6]C)(C[6]N[6]O)(OIr){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[6]HH){1|H<1>,1|N<3>,1|O<2>}	C[6](N[6]C[6]Ir)(C[6]C[6]O)(OIr){1|C<3>,1|C<4>,1|H<1>}	118.6980	0.000	1	118.6980	0.000	1	118.6980	0.000	1	120.6665	2.653	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<4>,1|H<1>,1|N<3>}	120.8050	0.392	3	120.8050	0.154	3	120.4702	0.551	4	120.6665	2.653	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(OH)	C[6](C[6]C[6]O)(N[6]C[6]C)(CHHN)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]O)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]O)(N[6]C[6]C)(CHHN){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|N<3>,2|C<4>}	119.4660	0.000	1	119.4660	0.000	1	120.4702	0.551	4	120.6665	2.653	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]C)2(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<4>,2|C<3>}	C[6](C[6]C[6]O)2(CHN){1|C<3>,2|C<4>}	120.0373	0.302	4	120.0373	0.091	4	121.1195	7.907	8	121.1195	7.907	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)2(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,2|C<4>}	124.7650	0.000	1	124.7650	0.000	1	121.1195	7.907	8	121.1195	7.907	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CCHH){2|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	124.0600	0.000	1	124.0600	0.000	1	121.1195	7.907	8	121.1195	7.907	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CC[5]HH)	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]O)2(CC[5]HH){2|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	123.5900	0.000	1	123.5900	0.000	1	121.1195	7.907	8	121.1195	7.907	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(OZn)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)2(OZn){1|N<3>,2|H<1>}	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]O)(C[6]N[6]H)(COO){1|C<3>,2|C<4>}	116.3920	0.000	1	116.3920	0.000	1	121.1195	7.907	8	121.1195	7.907	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)2(NC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	120.5030	0.000	1	120.5030	0.000	1	117.3840	19.456	2	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(NSi)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C[6](C[6]C[6]C)2(NSi){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,3|C<4>}	114.2650	0.000	1	114.2650	0.000	1	117.3840	19.456	2	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OAl)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(OAl){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	118.0340	0.000	1	118.0340	0.000	1	121.5465	1.272	40	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)2(OC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|C<4>,1|O<1>}	125.0970	0.000	1	125.0970	0.000	1	121.5465	1.272	40	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(OC){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Pd<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Pd<4>,1|C<3>,2|C<4>}	122.6270	0.000	1	122.6270	0.000	1	121.5465	1.272	40	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Co<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Co<6>,1|C<3>,1|C<4>}	121.4950	0.000	1	121.4689	0.604	35	121.5465	1.272	40	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|C<4>}	120.8450	0.741	2	121.4689	0.604	35	121.5465	1.272	40	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	121.4719	0.808	24	121.4689	0.604	35	121.5465	1.272	40	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	122.1923	0.635	3	121.4689	0.604	35	121.5465	1.272	40	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	120.9677	0.689	3	121.4689	0.604	35	121.5465	1.272	40	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	121.6920	0.000	1	121.4689	0.604	35	121.5465	1.272	40	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Zn<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Zn<6>,1|C<3>,1|C<4>}	121.7270	0.000	1	121.4689	0.604	35	121.5465	1.272	40	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)2(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,2|C<4>}	C[6](C[6]C[6]O)2(CH3){1|C<3>,2|C<4>}	122.3460	1.211	2	122.3460	1.465	2	121.5465	1.272	40	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]O)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	120.3587	0.308	10	120.3587	0.095	10	120.3587	0.095	10	121.1580	2.173	52	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[3,6,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]O)(O)	C[6](C[6]C[3,6,6]O)(C[6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[3,6,6]C[3,6,6]C[6,6]O[3])(C[6]C[6]O)(O){2|C<3>,4|C<4>}	125.5440	0.000	1	125.5440	0.000	1	125.5440	0.000	1	125.5440	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	124.6010	0.000	1	124.6010	0.000	1	124.2630	0.228	2	123.8941	0.239	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]O)(OH){1|C<4>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	123.9250	0.000	1	123.9250	0.000	1	124.2630	0.228	2	123.8941	0.239	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]O)(O){1|C<4>,1|H<1>,3|C<3>}	123.6913	0.584	3	123.6913	0.341	3	123.6913	0.341	3	123.8941	0.239	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]O){3|C<3>,5|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|H<1>}	123.8295	0.350	2	123.8295	0.123	2	123.8295	0.123	2	123.8941	0.239	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	3:4:3:	3:3:3:	C[6]-3:C[6]-3:C-2:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CN){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C){1|C<4>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCC){2|C<3>,2|C<4>}	120.1860	0.188	2	120.1860	0.035	2	120.1860	0.035	2	120.1860	0.035	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	121.2260	0.038	2	121.2260	0.001	2	121.2260	0.001	2	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	118.6580	0.000	1	118.6580	0.000	1	118.6580	0.000	1	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:F-2:	C[6]-4:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(FLa)	C[6](C[6]C[6]LaN)(C[6]C[6]F)(F)	C[6](C[6]C[6]F)2(F)	C[6](C[6]C[6]F)2(FLa){1|La<22>,1|C<4>,1|F<1>,1|N<3>}	C[6](C[6]C[6]LaN)(C[6]C[6]F)(F){1|C<3>,1|F<1>,1|F<2>}	C[6](C[6]C[6]F)2(F){1|La<22>,1|C<4>,1|F<1>,1|F<2>}	121.6050	0.000	1	121.6050	0.000	1	121.6050	0.000	1	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NN)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NN){1|Cr<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]N)(H){1|Cr<9>,1|H<1>,2|C<4>}	120.8980	0.000	1	120.8980	0.000	1	120.8980	0.000	1	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:N-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NN)	C[6](C[6,6]C[6,6]2N)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]N)(C[6]C[6]N)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NN){1|C<3>,1|C<4>,2|N<2>}	C[6](C[6,6]C[6,6]2N)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]N)(C[6]C[6]N)(O){1|H<1>,2|C<4>}	121.3420	0.000	1	121.3420	0.000	1	121.3420	0.000	1	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[3x6]H)(C[6]C[6]O)(O){1|H<1>,2|C<4>}	122.4100	0.000	1	122.4100	0.000	1	122.4100	0.000	1	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(OC)	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6,6]C[5,6]2C[6])(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	121.9480	0.000	1	121.9480	0.000	1	121.9480	0.000	1	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]O)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]O)(H){1|O<1>,3|C<4>}	122.2080	0.000	1	122.2080	0.000	1	121.2330	1.901	2	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]O)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]O)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(OC){1|O<1>,1|S<3>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]O)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]O)(H){1|O<1>,3|C<4>}	120.2580	0.000	1	120.2580	0.000	1	121.2330	1.901	2	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>,2|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	121.4990	0.000	1	121.4990	0.000	1	121.7485	0.317	4	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]O)2(O){1|C<4>,2|H<1>}	122.1625	0.460	2	122.1625	0.212	2	121.7485	0.317	4	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(OC){1|H<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]O)(H){1|O<2>,2|O<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	121.1700	0.000	1	121.1700	0.000	1	121.7485	0.317	4	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(OC)	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]2)(C[6]C[6]O)(H){1|C<2>,1|O<1>,2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	121.4480	0.000	1	121.4480	0.000	1	121.4480	0.000	1	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[5a,6]C[6,6]C)(C[6]C[6]O)(H){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	121.7313	0.301	4	121.7313	0.091	4	121.3937	0.360	14	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6a]C[5,6]C[6])(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]O)2(O){1|C<4>,2|H<1>}	121.7730	0.424	2	121.7730	0.180	2	121.3937	0.360	14	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,2|H<1>}	121.8360	0.000	1	121.8360	0.000	1	121.3937	0.360	14	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	122.2820	0.000	1	121.8335	0.402	2	121.3937	0.360	14	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OC){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]O)(H){1|O<1>,1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(O){1|C<4>,1|H<1>,1|O<2>}	121.3850	0.000	1	121.8335	0.402	2	121.3937	0.360	14	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]O)(O){1|H<1>,2|C<4>}	120.7076	0.187	5	120.7076	0.035	5	121.3937	0.360	14	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(OC)	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(Br)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)2(OC){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]HO)(C[6]C[6]O)(Br){1|Br<1>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]O)(Br){1|Br<1>,1|O<2>,2|C<4>}	117.9273	0.442	3	117.9273	0.195	3	117.9273	0.195	3	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]2Ru)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|Ru<10>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Ru)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ru<10>,1|H<1>,2|C<4>}	120.4665	0.227	2	120.4665	0.052	2	120.9389	0.629	10	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]CC)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	121.3162	0.228	6	121.3162	0.052	6	120.9389	0.629	10	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(OC){1|Ru<10>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]O)(H){1|Ru<8>,1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]O)(C[6]N[6]H)(H){1|Ru<10>,1|Ru<8>,1|C<4>,1|H<1>}	119.0180	0.000	1	119.0180	0.000	1	120.9389	0.629	10	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]Ru2)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|Ru<5>,1|Ru<7>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Ru2)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|Ru<7>,1|H<1>,2|C<4>}	121.5410	0.000	1	121.5410	0.000	1	120.9389	0.629	10	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(SC[6a])	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]S)(O)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(SC[6a]){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]S)(O){3|C<3>,4|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<1>}	119.8070	0.000	1	119.8070	0.000	1	119.8070	0.000	1	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(SC[6a])	C[6](C[6,6]C[6]2S[6])(C[6]C[6]S)(O)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(SC[6a]){1|C<3>,1|S<2>,2|C<4>}	C[6](C[6,6]C[6]2S[6])(C[6]C[6]S)(O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<1>}	121.1850	0.000	1	121.1850	0.000	1	121.1850	0.000	1	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-4:C[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]N[6]O)(SC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	C[6](C[6]C[6]S)(N[6]C[6]H)(O)	C[6](C[6]C[6]O)(C[6]N[6]O)(SC[6a]){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]S)(N[6]C[6]H)(O){1|C<4>,1|O<1>,2|C<3>}	122.3040	0.000	1	122.3040	0.000	1	122.3040	0.000	1	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Se-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SeSe)	C[6](C[6]C[6a]2C[6])(C[6]C[6]Se)(H)	C[6](C[6]C[6]Se)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SeSe){1|H<1>,3|C<3>}	C[6](C[6]C[6a]2C[6])(C[6]C[6]Se)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6]Se)(C[6]C[6]H)(O){1|C<4>,2|H<1>}	121.2500	0.000	1	121.2500	0.000	1	121.2500	0.000	1	121.0315	1.307	46	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[5,6]C[6]Pd)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|Pd<5>,1|C<3>,1|C<5>,1|H<1>}	C[6](C[6]C[5,6]C[6]Pd)(C[6]C[6]O)(H){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|H<1>,1|O<2>}	119.6250	0.000	1	119.6250	0.000	1	119.6250	0.000	1	120.7417	1.151	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]OO)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(OH)	C[6](C[6]C[6]O)2(OH){1|C<4>,1|O<1>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]O)(O){1|C<3>,3|O<2>}	C[6](C[6]C[6]O)2(OH){1|C<4>,1|O<1>,2|O<2>}	121.3000	0.658	2	121.3000	0.432	2	121.3000	0.432	2	120.7417	1.151	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]O)2(CCH){1|C<4>,3|H<1>}	123.2230	0.000	1	123.2230	0.000	1	123.2230	0.000	1	123.2230	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:O-2:	C[3,5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3,5,6]H)(C[6]C[6]C)(OC)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]O)(H)	C[6](C[6]C[3,5,6]H)(C[6]C[6]O)(CClHH)	C[6](C[6]C[3,5,6]H)(C[6]C[6]C)(OC){1|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]O)(H){2|Cl<1>,1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[3,5,6]H)(C[6]C[6]O)(CClHH){1|H<1>,3|C<4>}	122.8490	0.000	1	122.8490	0.000	1	122.8490	0.000	1	121.4865	3.713	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:S-2:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(SC)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]S)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]S)(CH3)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(SC){1|O<1>,1|S<2>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]S)(C[6]C[6]S)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]S)(CH3){1|H<1>,1|O<1>,2|C<4>}	120.1240	0.000	1	120.1240	0.000	1	120.1240	0.000	1	121.4865	3.713	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	123.1835	0.719	4	123.3076	0.465	5	123.3076	0.465	5	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-2:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CN){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	123.8040	0.000	1	123.3076	0.465	5	123.3076	0.465	5	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:I-2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(IC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]C[6]O)2(IC[6a]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|O<1>,3|C<4>}	127.2090	0.000	1	127.2090	0.000	1	127.2090	0.000	1	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|O<1>,3|C<4>}	120.5760	0.589	6	120.5760	0.347	6	120.5760	0.347	6	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[3x6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(OC)	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]O)(O)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(OC){1|O<2>,2|C<4>,2|H<1>}	C[6](C[3x6]C[5,3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[5,6]C[5,3x6]O[5]H)(C[6]C[6]O)(O){1|H<1>,2|C<3>,2|C<4>}	122.5950	0.000	1	122.5950	0.000	1	122.5950	0.000	1	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>,1|O<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O){1|C<3>,1|H<1>,2|C<4>}	120.4426	0.913	9	120.5119	0.790	10	120.8540	1.023	13	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){2|C<4>,3|H<1>}	C[6](C[3x6]C[3x6]C[6,6]H)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O){1|C<3>,1|H<1>,2|C<4>}	121.1360	0.000	1	120.5119	0.790	10	120.8540	1.023	13	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6,6a]C[6,6]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O){2|C<4>,2|H<1>}	121.9860	0.311	2	121.9860	0.097	2	120.8540	1.023	13	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC)	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[3x6]C[6,6a]C[3x6]C[6])(C[6]C[6]O)(H){1|O<1>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[3x6]HH)(C[6]C[6]O)(O){2|C<4>,2|H<1>}	122.0110	0.000	1	122.0110	0.000	1	120.8540	1.023	13	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(OC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(OC){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(H){1|H<1>,2|O<1>,3|C<4>}	120.7340	0.000	1	120.7340	0.000	1	120.7340	0.000	1	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC)	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(H)	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	119.8230	0.000	1	119.8230	0.000	1	119.8230	0.000	1	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC)	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(O)	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(OC){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6,6]C[6,6]O[6,6]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]O[6,6]H)(C[6]C[6]O)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	120.4335	0.054	2	120.4335	0.003	2	120.4335	0.003	2	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:Br-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]O)(Br){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O){1|Br<1>,1|C<4>,2|H<1>}	121.3460	0.000	1	121.3460	0.000	1	121.3460	0.000	1	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(OC)	C[6](C[6]C[6]PtC)(C[6]C[6]O)(H)	C[6](C[6]C[6]PtC)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(OC){1|Pt<6>,3|C<4>}	C[6](C[6]C[6]PtC)(C[6]C[6]O)(H){1|H<1>,2|C<4>}	C[6](C[6]C[6]PtC)(C[6]C[6]O)(H){1|H<1>,2|C<4>}	120.0100	0.000	1	120.0100	0.000	1	120.0100	0.000	1	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HO)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(O){1|C<4>,3|H<1>}	121.8660	0.000	1	121.8660	0.000	1	121.3643	0.191	3	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OC)	C[6](C[6]O[6]CH)(C[6]C[6]O)(H)	C[6](C[6]O[6]HO)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OC){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]O[6]CH)(C[6]C[6]O)(H){1|C<4>,1|O<1>}	C[6](C[6]O[6]HO)(C[6]C[6]O)(O){1|C<4>,1|H<1>}	121.0710	0.000	1	121.0710	0.000	1	121.3643	0.191	3	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]O)(H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(OH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(H){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(O){1|H<1>,3|C<4>}	121.1560	0.000	1	121.1560	0.000	1	121.3643	0.191	3	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC)	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O)	C[6](C[6]C[6]HH)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OC){1|Br<1>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O){1|Br<1>,1|C<3>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(Br){1|C<3>,1|O<1>,2|C<4>}	120.1350	0.000	1	120.1350	0.000	1	120.5270	0.307	2	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH)	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O)	C[6](C[6]C[6]CH)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(OH){1|Br<1>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]BrC)(C[6]C[6]O)(O){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(Br){1|C<4>,1|O<1>,2|H<1>}	120.9190	0.000	1	120.9190	0.000	1	120.5270	0.307	2	121.3196	2.386	37	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:O-2:	C[5,5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]C)(OH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O){1|C<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3){2|O<1>,4|C<4>}	121.0650	0.000	1	121.8715	1.301	2	121.8715	1.301	2	122.5817	1.109	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:O-2:	C[5,5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:C-4:	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]C)(OH)	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,5,6]O)(C[6]C[5,6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,5,6]C[5,5]C[5,6]C[5])(C[6]C[6]O)(O){1|O<1>,2|H<1>,6|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(CH3){2|O<1>,4|C<4>}	122.6780	0.000	1	121.8715	1.301	2	121.8715	1.301	2	122.5817	1.109	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,2|C<4>}	123.2920	0.088	2	123.2920	0.008	2	123.2920	0.008	2	122.5817	1.109	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:C-2:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH)	C[6](C[6]C[6]2C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(OH){1|Cl<1>,1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]2C)(C[6]C[6]O)(CN){1|Cl<1>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]O)(Cl){1|C<2>,1|C<4>,1|O<1>}	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1	120.6370	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:I-2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(IC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]I)(OB)	C[6](C[6]C[6]HH)(C[6]C[6]I)(O)	C[6](C[6]C[6]O)2(IC[6a]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(OB){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]I)(O){1|O<2>,3|C<4>}	125.2387	0.162	3	125.2387	0.026	3	125.2387	0.026	3	122.2021	3.865	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(NN)	C[6](C[6]C[6]HH)(C[6]C[6]N)(OCu)	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(NN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(OCu){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|O<2>,3|C<4>}	119.6280	0.000	1	119.6280	0.000	1	119.6280	0.000	1	122.2021	3.865	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(OC)	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(OC){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6,6]C[6]O[6]2)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	121.8390	0.000	1	121.8390	0.000	1	121.8390	0.000	1	122.2021	3.865	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HO)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(OC){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	121.1615	0.448	2	121.1615	0.200	2	121.5148	0.203	6	122.2021	3.865	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(OC){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	121.7683	0.428	3	121.7683	0.184	3	121.5148	0.203	6	122.2021	3.865	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(OC)	C[6](C[6]C[6]OO)(C[6]C[6]O)(OC)	C[6](C[6]C[6]CH)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(OC){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]O)(OC){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(O){1|H<1>,1|O<2>,2|C<4>}	121.4610	0.000	1	121.4610	0.000	1	121.5148	0.203	6	122.2021	3.865	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(SC[6])	C[6](C[6]C[6]HH)(C[6]C[6]S)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	C[6](C[6]C[6]O)2(SC[6]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|O<2>,3|C<4>}	120.1530	0.000	1	120.1530	0.000	1	120.1530	0.000	1	122.2021	3.865	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:O-2:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(OC)	C[6](PC[6a]2Mo)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]O)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(OC){1|C<3>,1|H<1>}	C[6](PC[6a]2Mo)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,2|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(H){1|C<3>,1|H<1>,1|P<4>}	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	119.7720	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:3:	3:2:4:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:N[6]-2:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CC)	C[6](C[6]C[6a]Si[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6]C)(N[6]Si[6])(CC3)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CC){1|Si<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]Si[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,2|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6]C)(N[6]Si[6])(CC3){1|C<3>,3|C<4>}	122.4520	0.000	1	122.4520	0.000	1	122.4520	0.000	1	122.4520	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|N<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,3|C<4>}	122.5260	0.000	1	122.5260	0.000	1	122.5260	0.000	1	121.4847	0.831	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]O)(CCO){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<4>,2|C<3>}	120.8310	0.000	1	120.8310	0.000	1	120.9640	0.035	2	121.4847	0.831	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<3>,1|C<4>,2|O<2>}	121.0970	0.000	1	121.0970	0.000	1	120.9640	0.035	2	121.4847	0.831	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:3:	3:3:2:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(OH)	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(OH)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(OH){1|Mo<7>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]MoH)(C[6a]C[6a]2)(C[6]C[6]O){1|O<2>,1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(OH){1|Mo<7>,1|C<4>,1|H<1>,3|C<3>}	120.9553	0.339	4	120.9553	0.115	4	120.9553	0.115	4	120.9553	0.115	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:3:	3:3:3:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]2)(C[6]C[6]C)(OH)	C[6](C[6]C[6]2H)(C[6]C[6]O)2	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]2)(C[6]C[6]C)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]2H)(C[6]C[6]O)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	124.4850	0.000	1	124.4850	0.000	1	124.4850	0.000	1	124.4850	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:N-2:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(NO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|N<3>,3|C<4>}	120.2390	0.000	1	120.2390	0.000	1	120.2390	0.000	1	121.6908	1.144	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(OC){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(NC[6a]H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]O)(O){1|H<1>,1|N<3>,2|C<4>}	122.8120	0.000	1	122.8120	0.000	1	122.8120	0.000	1	121.6908	1.144	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(SC[6])	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(SC[6]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|N<3>,3|C<4>}	121.8560	0.109	2	121.8560	0.012	2	121.8560	0.012	2	121.6908	1.144	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OH)	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(O)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OH){1|C<4>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C[5])(C[6]C[6]O)(CH3){1|C<4>,1|N<3>,2|O<1>,3|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]O)(O){2|H<1>,4|C<4>}	123.7340	0.000	1	123.7340	0.000	1	123.7340	0.000	1	124.0080	0.091	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(OH)	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(OH){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,5]C[5,6]C)(C[6]C[6]O)(CH3){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	124.0900	0.000	1	124.0900	0.000	1	124.0900	0.000	1	124.0080	0.091	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(OC)	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]O)(CC[5]HH)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6,6]C)(OC){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6]H)(C[6]C[6]O)(CC[5]HH){1|H<1>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]O)(O){1|O<2>,2|C<3>,2|C<4>}	124.1040	0.417	2	124.1040	0.174	2	124.1040	0.174	2	124.0080	0.091	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:4:	3:3:2:	C[6]-3:C[6]-3:C-2:	C[5,6]-4:C[6]-3:C-4:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[5,6]C)(C[6]N[6]N)(CN)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(CH3)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH)	C[6](C[6]C[5,6]C)(C[6]N[6]N)(CN){2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(CH3){1|N<2>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(NH){1|O<1>,2|C<3>,2|C<4>}	124.1090	0.000	1	124.1090	0.000	1	124.1090	0.000	1	124.1090	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]O)(CCHH){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]O)(C[6]C[6]O)(O){2|H<1>,2|O<2>,3|C<4>}	124.0470	0.000	1	124.0470	0.000	1	123.1740	1.524	2	122.4381	0.623	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(OC){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]O)(O){1|H<1>,1|O<1>,4|C<4>}	122.3010	0.000	1	122.3010	0.000	1	123.1740	1.524	2	122.4381	0.623	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]O)(CH3){1|O<1>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O){1|H<1>,3|C<4>}	122.8940	1.433	2	122.8940	2.052	2	122.6600	1.190	3	122.4381	0.623	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(OH){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]O)(CH3){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]O)(O){4|C<4>}	122.1920	0.000	1	122.1920	0.000	1	122.6600	1.190	3	122.4381	0.623	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CH)(C[6]C[6]O)(CCCH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]O)(O){2|H<1>,5|C<4>}	123.4170	0.000	1	123.4170	0.000	1	123.4170	0.000	1	122.4381	0.623	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:S-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a])	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(SC[6a]){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){2|C<4>,2|H<1>}	122.0918	0.439	9	122.0918	0.193	9	122.0918	0.193	9	122.4381	0.623	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:2:	4:3:4:	4:3:2:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NH)	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,1|H<1>,2|C<2>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(CC[6a]HH){1|C<4>,1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(NH){1|C<3>,1|H<1>,2|C<4>}	124.8450	0.000	1	124.8450	0.000	1	124.8450	0.000	1	124.8450	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	2:3:1:	2:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]O[6]O)2(CCH)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C[6](C[6]O[6]O)2(CCH){1|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	118.6310	0.000	1	118.6310	0.000	1	117.5842	2.541	8	117.5842	2.541	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	2:3:1:	2:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]O[6]O)2(CC[5a]H)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C[6](C[6]O[6]O)2(CC[5a]H){1|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	119.1040	0.150	3	119.1040	0.023	3	117.5842	2.541	8	117.5842	2.541	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	2:3:1:	2:3:1:	C[6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:O-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]O[6]O)2(CC[6a]H)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>}	116.1827	0.787	4	116.1827	0.620	4	117.5842	2.541	8	117.5842	2.541	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](CC[5a]C[6a])(C[6]O[6]O)2	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](CC[5a]C[6a])(C[6]O[6]O)2{1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	115.8130	0.000	1	115.8130	0.000	1	115.8130	0.000	1	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5]C[5,6a]C[5])(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[5]C[5,6a]C[5])(C[6]O[6]O)2{2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,3|C<4>}	114.8948	0.398	4	114.8948	0.159	4	117.6338	7.078	10	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5]C[5]N[5])(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[5]C[5]N[5])(C[6]O[6]O)2{1|C<4>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	118.8125	0.166	2	118.9737	0.092	3	117.6338	7.078	10	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5]C[5]N[5])(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[5]C[5]N[5])(C[6]O[6]O)2{3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	119.2960	0.000	1	118.9737	0.092	3	117.6338	7.078	10	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5]C[5]S[5])(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[5]C[5]S[5])(C[6]O[6]O)2{1|C<4>,1|N<2>,1|N<3>,1|S<2>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|O<1>,1|O<2>,1|S<2>,2|C<4>}	117.1770	0.000	1	117.1770	0.000	1	117.6338	7.078	10	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5]N[5]2)(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[5]N[5]2)(C[6]O[6]O)2{2|H<1>,3|C<4>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	121.1020	0.000	1	121.3305	0.104	2	117.6338	7.078	10	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5]N[5]2)(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[5]N[5]2)(C[6]O[6]O)2{5|C<4>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	121.5590	0.000	1	121.3305	0.104	2	117.6338	7.078	10	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5a]C[5a,6a]N[5a])(C[6]O[6]O)2	C[6](C[6]C[5a]C[6])(O[6]C[6])(O)	C[6](C[6]C[5a]C[6])(O[6]C[6])(O)	C[6](C[5a]C[5a,6a]N[5a])(C[6]O[6]O)2{1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(O[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5a]C[6])(O[6]C[6])(O){1|C<3>,1|N<3>,1|O<1>,1|O<2>,2|C<4>}	117.2545	0.179	2	117.2545	0.032	2	117.2545	0.032	2	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:C-1:	C[6]-3:C[6]-2:C-1:	C[6](C[6]C[6]C)2(CGe[6]O)	C[6](C[6]C[6]C)(C[6]C[6])(C)	C[6](C[6]C[6]C)(C[6]C[6])(C)	C[6](C[6]C[6]C)2(CGe[6]O){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(C){1|C<1>,1|C<2>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6])(C){1|C<1>,1|C<2>,1|C<4>}	119.0360	0.000	1	119.0360	0.000	1	119.0360	0.000	1	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCC){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	120.1360	0.000	1	120.1360	0.000	1	119.1770	1.839	2	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	118.2180	0.000	1	118.2180	0.000	1	119.1770	1.839	2	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CCC)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CCC){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	115.2260	0.000	1	115.2260	0.000	1	118.5557	4.370	82	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CCH){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	118.7856	0.439	10	118.7856	0.193	10	118.5557	4.370	82	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[5]C)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[5]C){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	115.4790	0.000	1	115.4790	0.000	1	118.5557	4.370	82	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[5a]H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[5a]H){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	118.4857	0.643	3	118.4857	0.414	3	118.5557	4.370	82	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]C)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]C){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	115.0032	0.576	12	115.0032	0.331	12	118.5557	4.370	82	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]H){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	117.7361	1.531	15	117.7361	2.344	15	118.5557	4.370	82	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]S)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]S){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	116.4230	0.000	1	116.4230	0.000	1	118.5557	4.370	82	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CHN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CHN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	120.4443	0.489	32	120.4443	0.240	32	118.5557	4.370	82	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CNN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CNN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	118.8837	1.675	3	118.8837	2.806	3	118.5557	4.370	82	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CNO)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CNO){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	118.8070	0.000	1	118.8070	0.000	1	118.5557	4.370	82	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CNS)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CNS){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	118.4583	0.331	3	118.4583	0.109	3	118.5557	4.370	82	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(H){1|C<2>,1|C<3>,1|C<4>,2|H<1>}	115.8580	0.000	1	115.8580	0.000	1	115.8580	0.000	1	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]2)(C[6]O[6]O)2	C[6](C[6]C[6]2)(O[6]C[6])(O)	C[6](C[6]C[6]2)(O[6]C[6])(O)	C[6](C[6]C[6]2)(C[6]O[6]O)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]2)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	118.8543	1.254	4	118.8543	1.573	4	119.0726	0.911	8	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]N[6])(C[6]O[6]O)2	C[6](C[6]C[6]2)(O[6]C[6])(O)	C[6](C[6]C[6]2)(O[6]C[6])(O)	C[6](C[6]C[6]N[6])(C[6]O[6]O)2{3|C<4>,3|H<1>}	C[6](C[6]C[6]2)(O[6]C[6])(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]2)(O[6]C[6])(O){1|N<3>,1|O<1>,1|O<2>,3|C<4>}	118.5400	0.000	1	118.5400	0.000	1	119.0726	0.911	8	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]N[6]2)(C[6]O[6]O)2	C[6](C[6]C[6]2)(O[6]C[6])(O)	C[6](C[6]C[6]2)(O[6]C[6])(O)	C[6](C[6]N[6]2)(C[6]O[6]O)2{1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	C[6](C[6]C[6]2)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>,2|N<3>}	119.5413	0.513	3	119.5413	0.263	3	119.0726	0.911	8	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]N)(C[6]C[6])(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCH){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(Cl){1|C<2>,2|H<1>}	118.9890	0.000	1	118.9890	0.000	1	118.9890	0.000	1	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-2:O-1:	C[6](C[6]N[6]O)2(NOO)	C[6](C[6]C[6]N)(N[6]C[6])(O)	C[6](C[6]C[6]N)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(NOO){1|C<3>}	C[6](C[6]C[6]N)(N[6]C[6])(O){1|N<2>,2|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(O){1|N<2>,2|O<1>}	123.3410	0.000	1	123.3410	0.000	1	123.3410	0.000	1	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:Si-3:	C[6]-3:C[6]-2:C-1:	C[6]-3:C[6]-2:C-1:	C[6](C[6]C[6]C)2(SiIr2)	C[6](C[6]C[6]Si)(C[6]C[6])(C)	C[6](C[6]C[6]Si)(C[6]C[6])(C)	C[6](C[6]C[6]C)2(SiIr2){1|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6])(C){1|C<2>,2|C<1>}	C[6](C[6]C[6]Si)(C[6]C[6])(C){1|C<2>,2|C<1>}	119.9000	0.000	1	119.9000	0.000	1	119.9000	0.000	1	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:2:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]N[6])(H)	C[6](C[6]N[5a]C[6])(C[6]N[6])(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]C[6])(C[6]N[6])(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]N[5a]C[6])(C[6]N[6])(H){1|C<2>,1|H<1>,2|C<3>}	118.6280	0.000	1	118.6280	0.000	1	118.6280	0.000	1	118.5128	4.368	111	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[5]C[6])2(H)	C[6](C[5]C[5]2)(C[6]C[6]H)2{2|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])2(H){1|C<2>,2|H<1>,4|C<3>}	118.5440	0.553	2	118.5440	0.306	2	118.5440	0.306	2	122.1580	31.244	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|C<2>,1|H<1>,1|O<2>}	128.2445	0.071	2	128.2445	0.005	2	128.2445	0.005	2	122.1580	31.244	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHH)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHH){2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<2>,2|H<1>}	117.2130	0.000	1	117.2130	0.000	1	117.2130	0.000	1	122.1580	31.244	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<2>,2|H<1>}	118.5180	0.000	1	118.5180	0.000	1	118.5473	1.251	3	118.5473	1.251	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OMn)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OMn){1|C<2>,2|H<1>}	117.4440	0.000	1	117.4440	0.000	1	118.5473	1.251	3	118.5473	1.251	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<2>,2|H<1>}	119.6800	0.000	1	119.6800	0.000	1	118.5473	1.251	3	118.5473	1.251	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CHN)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCuC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NCuC){1|C<2>,2|H<1>}	118.8970	0.000	1	118.8970	0.000	1	118.5905	0.188	2	118.9670	0.301	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<2>,2|H<1>}	118.2840	0.000	1	118.2840	0.000	1	118.5905	0.188	2	118.9670	0.301	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(NMoC)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NMoC)	C[6](C[6]C[6]H)(C[6]C[6]N)(NMoC){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NMoC){1|C<2>,2|H<1>}	119.6150	0.000	1	119.6150	0.000	1	119.3435	0.147	2	118.9670	0.301	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC)	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC){1|C<2>,2|H<1>}	119.0720	0.000	1	119.0720	0.000	1	119.3435	0.147	2	118.9670	0.301	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)(C[6]C[6])(CC)	C[6](C[6]C[6]C)(C[6]C[6])(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHH){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(CC){1|C<2>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6])(OH){1|O<1>,2|C<2>}	114.4480	0.000	1	114.4480	0.000	1	114.4480	0.000	1	117.5326	4.006	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)2(NC[6]Ni)	C[6](C[6]C[6]N)(C[6]C[6])(OC)	C[6](C[6]C[6]N)(C[6]C[6])(OC)	C[6](C[6]C[6]O)2(NC[6]Ni){1|C<2>}	C[6](C[6]C[6]N)(C[6]C[6])(OC){1|C<2>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6])(OC){1|C<2>,1|O<2>}	119.1010	0.000	1	119.1010	0.000	1	119.1010	0.000	1	117.5326	4.006	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:2:	3:2:2:	C[6]-3:C[6]-3:O-3:	C[6]-3:C[6]-2:C-2:	C[6]-3:C[6]-2:C-2:	C[6](C[6]C[6]C)2(ONi2)	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]O)(C[6]C[6])(CN)	C[6](C[6]C[6]C)2(ONi2){1|C<3>}	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|Br<1>,2|C<2>}	C[6](C[6]C[6]O)(C[6]C[6])(CN){1|Br<1>,2|C<2>}	119.0500	0.522	3	119.0500	0.272	3	119.0500	0.272	3	117.5326	4.006	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-2:	C[6]-3:O[6]-2:O-2:	C[6](C[6a]C[6a]2)(C[6]O[6]O)2	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC)	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC)	C[6](C[6a]C[6a]2)(C[6]O[6]O)2{1|B<4>,2|C<3>,2|F<1>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC){2|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC){2|O<2>,4|C<3>}	116.0450	0.000	1	116.0145	0.002	2	116.0145	0.002	2	117.5326	4.006	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:2:	3:2:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-2:	C[6]-3:O[6]-2:O-2:	C[6](C[6a]C[6a]2)(C[6]O[6]O)2	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC)	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC)	C[6](C[6a]C[6a]2)(C[6]O[6]O)2{1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC){2|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC){2|O<2>,4|C<3>}	115.9840	0.000	1	116.0145	0.002	2	116.0145	0.002	2	117.5326	4.006	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:2:	3:2:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6a]C[6a]2)(C[6]O[6]C)(C[6]O[6]O)	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC)	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]O[6]C)(C[6]O[6]O){1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(OC){1|C<4>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){2|O<2>,4|C<3>}	117.3210	0.000	1	117.3210	0.000	1	117.3210	0.000	1	117.3210	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:2:	3:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:O[6]-2:N-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H)	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a])	C[6](C[6]C[6]C)(C[6]C[6]N)(CC)	C[6](C[6]C[6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a]){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CC){1|C<4>,1|N<2>,1|O<2>}	119.8730	0.000	1	119.8730	0.000	1	119.8730	0.000	1	119.8730	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:3:	3:2:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-2:C-3:	C[6]-3:O[6]-2:N-2:	C[6](C[6]N[6]C)(C[6]O[6]N)(NC[6a]H)	C[6](C[6]C[6]N)(N[6]C[6])(COO)	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a])	C[6](C[6]N[6]C)(C[6]O[6]N)(NC[6a]H){1|C<3>}	C[6](C[6]C[6]N)(N[6]C[6])(COO){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]N)(O[6]C[6])(NC[6a]){1|N<2>,2|C<3>}	117.3410	0.000	1	117.3410	0.000	1	117.3410	0.000	1	117.3410	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]C)(C[6]O[6]O)(COO)	C[6](C[6]C[6]C)(O[6]C[6])(CC3)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]C)(C[6]O[6]O)(COO){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CC3){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|O<2>,2|C<4>}	119.9350	0.000	1	119.9350	0.000	1	119.9350	0.000	1	119.0410	1.598	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:4:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]O[6]C)(C[6]O[6]O)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6])(O[6]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]O[6]C)(C[6]O[6]O){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(O){1|O<2>,2|C<3>,3|C<4>}	118.1470	0.000	1	118.1470	0.000	1	118.1470	0.000	1	119.0410	1.598	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:4:	3:2:4:	B[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:C-4:	C[6](B[6a]C[6a,6a]C[6a])(C[6]C[6]C)2	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH)	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH)	C[6](B[6a]C[6a,6a]C[6a])(C[6]C[6]C)2{1|C<4>,4|C<3>}	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH){1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]B[6a]C[6])(C[6]C[6])(CCCH){1|C<2>,2|C<3>,2|C<4>}	118.5710	0.000	1	118.5710	0.000	1	118.5710	0.000	1	120.2353	5.046	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:4:	3:2:4:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)2	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3)	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]C)2{1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>,2|C<4>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>,2|C<4>}	120.8970	0.000	1	120.8970	0.000	1	120.8970	0.000	1	120.2353	5.046	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:4:	3:2:4:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3)	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2(N[5]C[5]2){1|Pt<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3){1|C<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]C[6])(CH3){1|C<2>,2|C<3>,2|C<4>}	122.4035	0.786	2	122.4035	0.617	2	122.4035	0.617	2	120.2353	5.046	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:C-4:	C[6](C[6a]C[6a]2)(C[6]O[6]C)2	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]O[6]C)2{1|B<4>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	117.2910	0.000	1	117.6470	0.253	2	117.6470	0.253	2	120.2353	5.046	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:4:	3:2:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:C-4:	C[6](C[6a]C[6a]2)(C[6]O[6]C)2	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]O[6]C)2{1|B<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	C[6](C[6]C[6a]C[6])(O[6]B[6])(CH3){1|C<4>,1|O<2>,2|C<3>,2|F<1>}	118.0030	0.000	1	117.6470	0.253	2	117.6470	0.253	2	120.2353	5.046	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:4:	3:2:4:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-2:C-4:	C[6](N[5a]C[5a,6a]B[5a])(C[6]C[6]C)2	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH)	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH)	C[6](N[5a]C[5a,6a]B[5a])(C[6]C[6]C)2{1|Br<1>,1|N<3>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	C[6](C[6]N[5a]C[6])(C[6]C[6])(CCCH){1|B<3>,1|C<2>,1|C<3>,2|C<4>}	122.0780	0.000	1	122.0780	0.000	1	122.0780	0.000	1	120.2353	5.046	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-2:C-4:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]S[6])(CH3)	C[6](C[6]C[6]C)(N[6]S[6]C)(H)	C[6](C[6]N[6]C)(C[6]N[6]H)(COO){1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(N[6]S[6])(CH3){1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]S[6]C)(H){1|C<4>,1|N<2>,2|O<1>}	119.6610	0.000	1	119.6610	0.000	1	119.6610	0.000	1	120.2870	7.833	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]Ti)	C[6](C[6]C[6]N)(C[6]C[6])(PTiCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]Ti){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(PTiCC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|C<4>,1|P<4>}	116.4280	0.000	1	116.4280	0.000	1	116.4280	0.000	1	120.2870	7.833	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]O[6]C)	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)(C[6]O[6]C){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(CH3){1|C<4>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(O){1|O<2>,2|C<4>,5|C<3>}	119.2880	0.000	1	119.2880	0.000	1	119.2880	0.000	1	120.2870	7.833	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:2:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:P[6]-2:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(P[6]C[6])(SiC3)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(P[6]C[6])(SiC3){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])2(H){2|Si<4>,1|P<2>,4|C<3>}	123.0290	0.119	2	123.0290	0.014	2	123.0290	0.014	2	120.2870	7.833	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH){1|C<3>,1|P<4>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H){1|Nb<7>,1|C<2>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6])(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	117.5890	0.000	1	117.5890	0.000	1	117.5890	0.000	1	120.1299	2.523	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	119.9594	0.486	5	119.9594	0.236	5	120.5236	1.323	16	120.1299	2.523	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CCO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	119.6337	0.744	3	119.6337	0.554	3	120.5236	1.323	16	120.1299	2.523	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]N){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	120.1060	0.245	4	120.1060	0.060	4	120.5236	1.323	16	120.1299	2.523	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CHN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	122.3137	0.206	4	122.3137	0.042	4	120.5236	1.323	16	120.1299	2.523	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-2:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NCC)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H)	C[6](C[6]C[6,6])(C[6]C[6]N)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(NCC){1|C<3>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]N)(H){1|C<2>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6,6])(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	116.3730	0.000	1	116.3730	0.000	1	116.3730	0.000	1	120.1299	2.523	18	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CC[6a]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CC[6a]O){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	121.0345	0.189	2	121.0345	0.036	2	119.7381	0.945	8	119.3975	1.439	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|N<2>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	119.9400	0.000	1	119.5120	0.206	5	119.7381	0.945	8	119.3975	1.439	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	119.4050	0.445	4	119.5120	0.206	5	119.7381	0.945	8	119.3975	1.439	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CNS){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NH){1|H<1>,2|C<3>}	118.2760	0.000	1	118.2760	0.000	1	119.7381	0.945	8	119.3975	1.439	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(CCN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OPd)	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(CCN){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(OPd){1|H<1>,2|C<3>}	116.7830	0.000	1	116.7830	0.000	1	118.4890	2.183	3	119.3975	1.439	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OCd)	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(COO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(OCd){1|H<1>,2|C<3>}	119.3170	0.000	1	119.3170	0.000	1	118.4890	2.183	3	119.3975	1.439	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(OMn)	C[6](C[6]C[6,6a]H)(C[6]O[6]O)(COO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|O<2>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(OMn){1|H<1>,2|C<3>}	119.3670	0.000	1	119.3670	0.000	1	118.4890	2.183	3	119.3975	1.439	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	115.6600	0.000	1	115.6600	0.000	1	117.3450	5.678	2	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](CC[6a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](CC[6a]C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.0300	0.000	1	119.0300	0.000	1	117.3450	5.678	2	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.7430	0.000	1	119.7430	0.000	1	119.7430	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]O[6]O){1|H<1>,3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|S<2>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){2|C<3>,2|H<1>,2|S<2>}	117.1375	0.197	2	117.1375	0.039	2	117.1375	0.039	2	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|H<1>,3|C<3>}	118.3290	0.000	1	118.9205	0.700	2	119.0927	0.313	4	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[5a]C[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	119.5120	0.000	1	118.9205	0.700	2	119.0927	0.313	4	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|N<3>,2|C<3>,2|H<1>}	119.5100	0.000	1	119.5100	0.000	1	119.0927	0.313	4	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6])(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<2>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6])(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	119.0200	0.000	1	119.0200	0.000	1	119.0927	0.313	4	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:O-1:	C[6](C[5a]C[5a]O[5a])(C[6]N[6]H)(C[6]N[6]O)	C[6](C[6]C[5a]C[6])(N[6]C[5]C[6])(H)	C[6](C[6]C[5a]C[6])(N[6]C[6])(O)	C[6](C[5a]C[5a]O[5a])(C[6]N[6]H)(C[6]N[6]O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[5]C[6])(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,2|O<1>,2|O<2>}	C[6](C[6]C[5a]C[6])(N[6]C[6])(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,1|O<2>}	118.1250	0.000	1	118.1250	0.000	1	118.1250	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6,6a]O)(C[5]C[5]2)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](C[6]C[5]C[6])(O[6]C[6,6a])(O)	C[6](C[6]C[6,6a]O)(C[5]C[5]2)(C[6]O[6]O){1|N<3>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5]C[6])(O[6]C[6,6a])(O){1|C<4>,1|O<1>,3|C<3>}	120.9330	0.000	1	120.9330	0.000	1	120.9330	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	117.4605	1.049	2	117.4605	1.100	2	118.1503	1.216	13	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	119.4140	0.000	1	118.0743	2.838	3	118.1503	1.216	13	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	117.4045	1.727	2	118.0743	2.838	3	118.1503	1.216	13	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.1340	0.180	2	119.1340	0.032	2	118.1503	1.216	13	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Br<1>,1|C<3>,1|H<1>}	118.1560	0.000	1	118.1560	0.000	1	118.1503	1.216	13	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC[3]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[3]H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	116.6400	0.000	1	116.6400	0.000	1	118.1503	1.216	13	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	117.8990	0.000	1	117.8990	0.000	1	118.1503	1.216	13	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	117.5430	0.000	1	118.2080	0.884	2	118.1503	1.216	13	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	118.8730	0.000	1	118.2080	0.884	2	118.1503	1.216	13	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|C<2>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Pt<6>,1|C<3>,1|H<1>}	119.4310	0.000	1	119.4310	0.000	1	118.1503	1.216	13	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(N[6]N[6])(H){1|H<1>,2|C<3>}	113.9470	0.000	1	113.9470	0.000	1	116.2430	10.543	2	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(N[6]N[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]C)(N[6]N[6])(H){1|C<3>,2|H<1>}	118.5390	0.000	1	118.5390	0.000	1	116.2430	10.543	2	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CCN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,1|O<1>}	119.3623	0.390	12	119.3623	0.152	12	119.3623	0.152	12	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|N<3>,2|O<1>}	117.9560	0.000	1	117.9560	0.000	1	117.9560	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:O-1:	C[6](C[6]N[6]O)2(CNN)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(CNN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6])(O){1|O<1>,2|N<3>}	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	117.7550	0.000	1	117.7550	0.000	1	118.2965	0.586	2	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|N<3>,2|H<1>}	118.8380	0.000	1	118.8380	0.000	1	118.2965	0.586	2	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)2(COO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)2(COO){1|Pt<4>,1|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|N<2>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|N<3>,2|H<1>}	117.4797	0.352	3	117.4797	0.124	3	117.4797	0.124	3	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(H){2|H<1>,3|C<3>}	118.3490	0.000	1	118.3490	0.000	1	116.9600	1.650	3	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|Te<2>,1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(H){2|H<1>,3|C<3>}	116.7160	0.000	1	116.7160	0.000	1	116.9600	1.650	3	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]N[6])(H){1|H<1>,3|C<3>}	115.8150	0.000	1	115.8150	0.000	1	116.9600	1.650	3	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	119.1410	0.000	1	119.3215	0.065	2	120.2537	2.405	7	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.5020	0.000	1	119.3215	0.065	2	120.2537	2.405	7	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(NC[6]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(NC[6]2){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.2030	0.000	2	120.2030	0.000	2	120.2537	2.405	7	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(NC[6]Cu)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(NC[6]Cu){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.2200	0.000	1	118.2200	0.000	1	120.2537	2.405	7	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	121.7610	0.000	1	122.2535	0.485	2	120.2537	2.405	7	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<2>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<4>}	122.7460	0.000	1	122.2535	0.485	2	120.2537	2.405	7	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|N<3>,2|H<1>}	116.6270	0.000	1	116.6270	0.000	1	116.6270	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]C[6]N)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(H){1|N<3>,2|O<1>}	119.3780	0.252	3	119.3780	0.064	3	119.3780	0.064	3	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:O-1:	C[6](C[6]N[6]O)2(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]C[6]N)(N[6]C[6])(O)	C[6](C[6]N[6]O)2(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,2|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(O){1|N<3>,2|O<1>}	122.2908	0.850	4	122.2908	0.723	4	122.2908	0.723	4	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6])(H)	C[6](C[6]C[6]H)2(N[5]C[5]2){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|I<1>,2|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6])(H){1|H<1>,1|I<1>,3|C<3>}	118.9520	0.000	1	118.9520	0.000	1	118.9520	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6])(H)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6])(H){1|Cl<1>,1|H<1>,3|C<3>}	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PC[6]C)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6]C){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.9670	0.000	1	118.9670	0.000	1	118.9670	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a])(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6a])(H){1|H<1>,4|C<3>}	119.3990	0.000	1	119.3990	0.000	1	119.3990	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	118.6850	0.000	1	118.6850	0.000	1	118.6850	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(N[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<2>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	114.8270	0.000	1	114.8270	0.000	1	114.8270	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	Ga-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](GaC[6a]N[5])(C[6]C[6]H)2	C[6](C[6]C[6]Ga)(C[6]C[6]H)(H)	C[6](C[6]C[6]Ga)(C[6]C[6])(H)	C[6](GaC[6a]N[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]Ga)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]Ga)(C[6]C[6])(H){1|C<3>,2|H<1>}	116.4360	0.000	1	116.4360	0.000	1	116.4360	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](N[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6])(H)	C[6](N[5]C[5]N[5])(C[6]C[6]H)2{1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[6]N[5])(C[6]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	120.4380	0.000	1	120.4380	0.000	1	120.4380	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6])(C[6]C[6])(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|H<1>,5|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6])(H){2|H<1>,3|C<3>}	120.4930	0.000	1	120.4930	0.000	1	120.4930	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:1:	N[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-2:H-1:	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(Cl)	C[6](C[6]N[6a]C[6])(C[6]C[6])(H)	C[6](N[6a]C[6a]2)(C[6]C[6]Cl)(C[6]C[6]H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(Cl){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]N[6a]C[6])(C[6]C[6])(H){1|Cl<1>,1|H<1>,3|C<3>}	120.3070	0.000	1	120.3070	0.000	1	120.3070	0.000	1	118.8412	2.900	73	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[5a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:N-2:	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]H)(C[6]O[6]N)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6])(H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH)	C[6](C[5a]N[5a]S[5a])(C[6]C[6,6a]H)(C[6]O[6]N){4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[5a]C[6])(H){1|O<2>,1|S<2>,2|N<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	119.4520	0.000	1	119.4520	0.000	1	119.4520	0.000	1	118.7078	4.467	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:O-2:	C[6](C[6]C[6,6a]H)(C[5]N[5]2)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6](C[6]C[5]C[6])(O[6]C[6,6a])(OPt)	C[6](C[6]C[6,6a]H)(C[5]N[5]2)(C[6]O[6]O){2|Pt<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|H<1>,2|C<3>,2|N<3>,2|O<2>}	C[6](C[6]C[5]C[6])(O[6]C[6,6a])(OPt){1|H<1>,2|C<3>,2|N<3>}	116.6460	0.000	1	116.6460	0.000	1	116.6460	0.000	1	118.7078	4.467	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:N-2:	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>,2|N<2>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	121.1780	0.000	1	121.1780	0.000	1	121.1780	0.000	1	118.7078	4.467	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6])(OP)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<2>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6])(OP){2|H<1>,3|C<3>}	119.9060	0.000	1	119.9060	0.000	1	119.9060	0.000	1	118.7078	4.467	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:N-2:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]O[6]N)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(O[6]C[6])(NS)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]O[6]N){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<2>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(NS){1|H<1>,4|C<3>}	116.3570	0.000	1	116.3570	0.000	1	116.3570	0.000	1	118.7078	4.467	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[5a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:N-3:	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NHH)	C[6](C[6]C[6,6a]H)(C[5a]N[5a]2)(C[6]O[6]N){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>,2|N<3>}	C[6](C[6]C[5a]C[6])(O[6]C[6,6a])(NHH){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	115.5390	0.000	1	115.5390	0.000	1	115.5390	0.000	1	118.3129	12.265	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:S-1:	C[6]-3:S[6]-2:N-3:	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]C[6]O)(S)	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H)	C[6](C[6]C[6]S)(C[6]S[6]N)(NC[6a]H){1|C<3>,1|O<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(S){1|C<3>,1|N<3>,1|S<2>}	C[6](C[6]C[6]N)(S[6]C[6])(NC[6a]H){1|S<1>,2|C<3>}	123.9890	0.000	1	123.9890	0.000	1	123.9890	0.000	1	118.3129	12.265	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:N-3:	C[6](C[6]N[6]N)(C[6]N[6]O)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]C[6]N)(N[6]C[6])(NHH)	C[6](C[6]N[6]N)(C[6]N[6]O)(NOO){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6])(NHH){1|N<3>,2|O<1>}	118.9065	0.323	2	118.9065	0.104	2	118.9065	0.104	2	118.3129	12.265	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6]-3:O-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(OCoNi)	C[6](C[6]C[6]H)(C[6]C[6]O)(H)	C[6](C[6]C[6]O)(C[6]C[6])(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OCoNi){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]O)(C[6]C[6])(CHN){1|C<3>,2|H<1>}	117.9370	0.000	1	117.9370	0.000	1	117.9370	0.000	1	118.3129	12.265	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CCH)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]O[6]C){2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CCH){1|H<1>,4|C<3>}	120.0500	0.000	1	120.0500	0.000	1	120.0500	0.000	1	118.3129	12.265	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:2:3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:N-3:	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N)	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6])(NCS)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N){2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6])(NCS){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	112.8620	0.000	1	112.8620	0.000	1	112.8620	0.000	1	118.3129	12.265	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](B[5]O[5]2)(C[6]C[6]H)2{1|N<3>,4|C<4>}	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|C<3>,2|H<1>,2|O<2>}	118.6870	0.000	1	117.4180	0.916	4	117.4180	0.916	4	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](B[5]O[5]2)(C[6]C[6]H)2{1|N<3>,4|C<4>}	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>,2|O<2>}	117.2535	0.448	2	117.4180	0.916	4	117.4180	0.916	4	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	B[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](B[5]O[5]2)(C[6]C[6]H)2	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H)	C[6](B[5]O[5]2)(C[6]C[6]H)2{1|N<3>,4|C<4>}	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]B[5]C[6])(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>,2|O<2>}	116.4780	0.000	1	117.4180	0.916	4	117.4180	0.916	4	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.4615	0.125	2	117.3107	0.162	4	117.0713	0.260	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	117.1600	0.617	2	117.3107	0.162	4	117.0713	0.260	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](CC[5a]C[5])(C[6]C[6]H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.5925	0.351	2	116.5925	0.124	2	117.0713	0.260	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[4]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(O)	C[6](C[4]C[4]2)(C[6]C[6]H)(C[6]C[6]O){1|Si<4>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[4]C[6])(C[6]C[6]H)(O){1|C<4>,2|C<3>,2|H<1>}	117.5615	0.684	2	117.5615	0.468	2	117.5615	0.468	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5,5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5,5]C[5,5,6]2)(C[6]C[6]H)2	C[6](C[6]C[5,5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,5]C[6])(C[6]C[6]H)(H)	C[6](C[5,5]C[5,5,6]2)(C[6]C[6]H)2{1|C<3>,4|C<4>,4|H<1>}	C[6](C[6]C[5,5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	116.6240	0.000	1	116.6240	0.000	1	116.6240	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6]N[5])(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H)	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H)	C[6](C[5]C[5,6]N[5])(C[6]C[6]H)2{1|O<2>,3|C<3>,4|C<4>}	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	110.1770	0.000	1	110.1770	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5,5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6a]C[5,5])(C[6]C[6]H)2{2|C<4>,2|O<2>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.3790	0.000	1	117.3790	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5,6])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6a]C[5,6])(C[6]C[6]H)2{1|O<2>,2|C<4>,5|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	115.8660	0.000	1	115.8660	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5,6a]C[5])(C[6]C[6]H)2{1|O<2>,2|C<4>,5|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	117.0880	0.000	1	117.0880	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	115.2127	0.234	3	115.2127	0.055	3	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	115.8980	0.000	1	117.3287	1.053	4	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]2)(C[6]C[6]H)2{3|N<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	117.8057	0.463	3	117.3287	1.053	4	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[6](C[5]C[5]2)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	114.4330	0.000	1	114.4330	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	118.3290	0.000	1	118.3290	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{2|H<1>,6|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	113.8790	0.000	1	113.8790	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|C<3>,1|O<2>,6|C<4>}	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	111.1510	0.000	1	111.1510	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[6a]N[6])(C[6]C[5]C[6])(H)	C[6](C[6]C[6a]N[6])(C[6]C[5]C[6])(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|N<3>,3|C<3>,4|C<4>}	C[6](C[6]C[6a]N[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,4|C<3>}	111.5190	0.000	1	111.5190	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5])(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H)	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H)	C[6](C[5]C[5]N[5])(C[6]C[6]H)2{1|O<2>,3|C<3>,4|C<4>}	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	111.3590	0.000	1	111.3590	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]O[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]O[5])(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	114.5400	0.000	1	114.5400	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]S[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]S[5])(C[6]C[6]H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	115.8160	0.000	1	117.6061	0.997	16	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]S[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]S[5])(C[6]C[6]H)2{1|C<3>,1|N<3>,1|S<2>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	117.2243	0.630	3	117.6061	0.997	16	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]S[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]S[5])(C[6]C[6]H)2{1|N<3>,1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,1|S<2>,2|C<3>}	117.8507	0.944	12	117.6061	0.997	16	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<2>,1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>}	119.2610	0.000	1	119.2610	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	119.4335	0.086	2	119.4335	0.007	2	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|H<1>,1|N<2>,3|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	117.0320	0.000	1	117.0320	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	112.2000	0.095	2	112.2000	0.009	2	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<2>}	116.5430	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<2>}	116.0970	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<2>}	116.5410	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.5960	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.4280	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	117.6440	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	119.3215	0.554	4	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	117.9800	0.817	3	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	118.2140	0.758	2	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,2|N<3>}	118.9870	0.107	2	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	116.9120	0.279	2	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<3>}	118.1130	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	115.5020	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<3>}	116.9720	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>,2|N<3>}	118.4760	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>,2|N<3>}	117.2040	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<3>}	118.0750	0.614	2	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	117.9079	0.288	15	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	117.8380	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,2|N<2>}	116.5410	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>,2|N<2>}	117.2720	0.000	1	117.8633	0.804	44	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]O[6]C)(H){1|C<3>,1|H<1>,2|N<3>}	112.8827	0.373	6	112.8827	0.139	6	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H)	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H)	C[6](C[5]N[5]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[5]C[6])(H){1|H<1>,2|N<3>,3|C<3>}	113.1980	0.000	1	113.1980	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]S[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]O[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]O[6]H)(H)	C[6](C[5]S[5]2)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]O[6]H)(H){1|C<3>,1|H<1>,2|S<2>}	C[6](C[6]C[5]C[6])(C[6]O[6]H)(H){1|C<3>,1|H<1>,2|S<2>}	112.3910	0.000	1	112.3910	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]S[5]2)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]S[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]S[6]H)(H)	C[6](C[5]S[5]2)(C[6]C[6]H)2{1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]S[6]H)(H){1|C<3>,1|H<1>,2|S<2>}	C[6](C[6]C[5]C[6])(C[6]S[6]H)(H){1|C<3>,1|H<1>,2|S<2>}	118.2200	0.000	1	118.2200	0.000	1	116.7637	5.078	93	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(O)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,1|N<2>,1|N<3>,3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	121.9730	0.000	1	121.9730	0.000	1	120.2887	1.674	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O)	C[6](C[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O){1|N<2>,2|C<3>,2|H<1>}	118.0550	0.000	1	118.0550	0.000	1	120.2887	1.674	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	120.5490	0.378	3	120.5490	0.143	3	120.2887	1.674	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]S[5]2)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>,2|S<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|S<2>}	120.0570	0.000	1	120.0570	0.000	1	120.2887	1.674	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5]C[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]Cd)(H)	C[6](C[5]C[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]Cd)(H){2|H<1>,3|C<3>}	119.5375	0.235	2	119.5375	0.055	2	118.4854	0.556	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]Co)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,2|N<2>}	C[6](C[6]C[5]C[6])(N[6]C[6]Co)(H){1|H<1>,2|C<3>,2|N<2>}	117.9600	0.000	1	117.9600	0.000	1	118.4854	0.556	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	118.0907	0.235	4	118.0907	0.055	4	118.4854	0.556	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[5]C[6])2(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|O<1>,3|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])2(H){2|H<1>,5|N<3>}	119.3105	0.037	2	119.3105	0.001	2	118.5849	0.868	13	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	118.1740	0.000	1	118.1058	0.839	5	118.5849	0.868	13	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	118.0888	1.057	4	118.1058	0.839	5	118.5849	0.868	13	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]Mn)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]Mn)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	119.8145	0.026	2	119.0460	1.772	3	118.5849	0.868	13	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]Mn)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(N[6]C[6]Mn)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	117.5090	0.000	1	119.0460	1.772	3	118.5849	0.868	13	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]Ni)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]Ni)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	118.0520	0.000	1	118.0520	0.000	1	118.5849	0.868	13	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]Rh)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]N[5]2)(C[6]C[6]H)(C[6]N[6]H){3|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]Rh)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){2|H<1>,3|N<3>}	118.6320	0.619	2	118.6320	0.384	2	118.5849	0.868	13	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2{1|N<3>,3|C<3>,3|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,2|N<3>,2|O<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,2|N<3>,2|O<1>}	121.6150	0.000	1	121.6150	0.000	1	121.0850	0.562	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O)	C[6](C[5]N[5,6a]C[5])(C[6]N[6]O)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,2|N<3>,2|O<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(O){1|C<3>,2|N<3>,2|O<1>}	120.5550	0.000	1	120.5550	0.000	1	121.0850	0.562	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](N[6]C[6a]C[6])(C[6]C[5]C[6])(O)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O){1|H<1>,2|C<3>,2|C<4>}	C[6](N[6]C[6a]C[6])(C[6]C[5]C[6])(O){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<3>,1|O<1>,2|S<2>}	120.7730	0.000	1	120.7730	0.000	1	120.7730	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]H)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H)	C[6](C[6]C[5a]C[6])(N[6]C[6,6a]Cd)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6,6a]H)(C[6]N[6]H){1|Cd<6>,1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(H){1|N<3>,1|S<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6,6a]Cd)(H){1|H<1>,1|S<2>,3|C<3>}	116.1875	0.544	4	116.1875	0.296	4	116.1875	0.296	4	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a,6]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a,6]N[5a])(C[6]C[6]H)2{1|C<3>,1|C<4>,2|H<1>,2|N<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	117.1830	0.000	1	117.1830	0.000	1	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>,2|N<3>}	116.1580	0.000	1	116.1580	0.000	1	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|H<1>,1|N<2>,2|C<4>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	118.2270	0.000	1	117.9795	0.123	2	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	117.7320	0.000	1	117.9795	0.123	2	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	117.6960	0.516	2	117.6960	0.266	2	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.7630	0.000	1	117.7908	1.000	16	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,1|N<2>,2|C<3>}	117.3560	0.000	1	117.7908	1.000	16	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.0220	0.000	1	117.7908	1.000	16	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,1|N<2>,2|C<3>}	116.8510	2.110	2	117.7908	1.000	16	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	116.7330	1.055	2	117.7908	1.000	16	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	116.7900	0.000	1	117.7908	1.000	16	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.4924	0.386	5	117.7908	1.000	16	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)2{2|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.3640	0.266	3	117.7908	1.000	16	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,1|O<2>,1|S<2>,2|C<3>}	119.0080	0.000	1	119.0080	0.000	1	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	116.5820	0.000	1	116.5820	0.000	1	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	117.7920	0.000	1	117.7920	0.000	1	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[5a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>,2|S<2>}	C[6](C[6]C[5a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>,2|S<2>}	115.5630	0.000	1	115.5630	0.000	1	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	117.0995	0.039	2	117.5938	0.779	13	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	118.6070	0.000	1	117.5938	0.779	13	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	118.4898	0.117	4	117.5938	0.779	13	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Zn<5>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Zn<5>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	117.1843	0.800	4	117.5938	0.779	13	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	116.6090	0.212	2	117.5938	0.779	13	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	115.9510	0.000	1	115.9510	0.000	1	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	115.8410	0.000	1	116.7540	0.924	3	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|S<2>,2|C<3>,2|H<1>}	117.2105	0.773	2	116.7540	0.924	3	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a,6]C[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a,6]C[5a])(C[6]C[6]H)2{1|Br<1>,1|B<4>,1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	118.9370	0.000	1	118.9370	0.000	1	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	117.6020	0.000	1	117.6020	0.000	1	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.8105	1.112	2	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.0163	0.473	3	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	119.0013	0.491	3	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,2|N<2>}	117.1300	0.000	1	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	117.9760	0.000	1	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|Co<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	117.4540	0.000	1	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|Fe<6>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.0450	0.000	1	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	117.6260	0.171	2	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<2>}	117.7353	0.350	4	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	119.2160	0.332	3	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<2>,2|H<1>,2|N<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<2>}	117.7150	0.000	1	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	117.7530	0.000	1	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	118.3708	0.732	6	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)2{1|N<3>,2|N<2>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	119.0345	0.202	2	118.2865	0.548	31	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>}	118.0335	0.540	17	118.4435	0.771	41	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	119.3676	0.668	12	118.4435	0.771	41	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	118.3297	0.270	6	118.4435	0.771	41	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	118.7480	0.000	1	118.4435	0.771	41	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	116.7315	0.944	2	118.4435	0.771	41	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	117.6430	0.000	1	118.4435	0.771	41	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	118.9070	0.000	1	118.4435	0.771	41	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|O<2>}	118.4630	0.000	1	118.4435	0.771	41	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	118.6460	0.126	2	117.4220	4.557	7	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	117.6990	0.000	1	117.4220	4.557	7	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Cu<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	118.0150	0.000	1	117.4220	4.557	7	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	117.8310	0.000	1	117.4220	4.557	7	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	112.6610	0.000	1	117.4220	4.557	7	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]N[6]H)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	118.4560	0.000	1	117.4220	4.557	7	118.0224	1.139	124	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	117.9610	0.000	1	117.9610	0.000	1	119.2209	0.524	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|N<3>,2|C<3>,2|H<1>}	118.6240	0.000	1	118.6240	0.000	1	119.2209	0.524	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5a]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[5a]C[6])2(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])2(O){2|H<1>,2|N<3>,3|C<3>}	119.7050	0.292	4	119.7050	0.085	4	119.2209	0.524	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	119.1410	0.000	1	119.1410	0.000	1	119.2209	0.524	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	117.3960	0.253	4	117.3960	0.064	4	117.8056	0.319	8	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	118.5610	0.000	1	118.0637	0.213	3	117.8056	0.319	8	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	117.9800	0.000	1	118.0637	0.213	3	117.8056	0.319	8	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|S<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	117.6500	0.000	1	118.0637	0.213	3	117.8056	0.319	8	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	118.6700	0.000	1	118.6700	0.000	1	117.8056	0.319	8	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])2(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	118.0605	0.317	2	118.2510	0.823	12	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[5a]C[6])2(H)	C[6](C[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]N[6]H){1|C<4>,1|I<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a]C[6])2(H){1|N<3>,2|C<3>,2|H<1>,2|N<2>}	118.2891	0.993	10	118.2510	0.823	12	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	118.4210	0.000	1	117.9498	0.241	6	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	117.8460	0.059	2	117.9498	0.241	6	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	117.0800	0.000	1	117.9498	0.241	6	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Co)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	118.2530	0.124	2	117.9498	0.241	6	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]Cu)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Cu)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	117.7670	0.000	1	117.7670	0.000	1	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,3|N<3>}	117.7963	0.258	3	117.7648	0.095	6	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	117.9625	0.139	2	117.7648	0.095	6	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	117.2750	0.000	1	117.7648	0.095	6	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]Ni)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Ni)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	118.4430	0.000	1	118.4430	0.000	1	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]O)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|H<1>,1|N<2>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	119.0775	0.066	2	119.0775	0.004	2	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]Zn)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Zn)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,2|H<1>,2|N<3>}	118.4990	0.000	1	118.4990	0.000	1	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]Fe)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Fe)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	119.0700	0.000	1	119.0700	0.000	1	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]Mn)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]O[5a])(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Mn)(H){1|C<3>,1|N<2>,1|O<2>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|O<2>,2|H<1>}	119.0170	0.000	1	119.0170	0.000	1	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5a]C[6])(N[6]C[6]Ni)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[5a]N[5a]S[5a])(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]Ni)(H){1|C<3>,1|N<2>,1|S<2>,2|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|N<2>,1|N<3>,1|S<2>,2|H<1>}	118.7050	0.000	1	118.7050	0.000	1	118.2174	0.510	32	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[5a]C[5a,6a]N[5a])(C[6]N[6]O)2	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(O)	C[6](C[5a]C[5a,6a]N[5a])(C[6]N[6]O)2{1|H<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(O){1|C<3>,2|N<3>,2|O<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]C)(O){1|C<3>,2|N<3>,2|O<1>}	118.7745	0.255	2	118.7745	0.065	2	118.7745	0.065	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[5]C[5]2)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H)	C[6](C[6]C[5]C[6])(N[6]C[6,6a]C)(H)	C[6](C[6]C[6,6a]H)(C[5]C[5]2)(C[6]N[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6,6a]C)(H){1|H<1>,4|C<3>}	116.7940	0.000	1	116.7940	0.000	1	116.7940	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5]C[6])(O)	C[6](C[6]C[5]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|S<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]N[6a])(C[6]C[5]C[6])(O){1|H<1>,2|S<2>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6,6a]H)(H){1|O<1>,2|C<3>,2|S<2>}	120.5940	0.000	1	120.5940	0.000	1	120.5940	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[5]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(O)	C[6](C[6]C[6,6a]O)(C[5]S[5]2)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|H<1>,1|O<1>,2|S<2>,3|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(O){1|O<1>,2|C<3>,2|S<2>}	120.3170	0.000	1	120.3170	0.000	1	120.3170	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:As-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(AsCl2)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]As)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(AsCl2){1|C<3>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]As)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.5650	0.000	1	117.5650	0.000	1	117.5650	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(BOO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]B)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]B)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(BOO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]B)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]B)(H){1|H<1>,2|C<3>}	116.5920	0.000	1	116.5920	0.000	1	116.5920	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BC[6a]2)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(BC[6a]2){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	113.2770	0.000	1	113.2770	0.000	1	116.8902	1.113	24	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BOO)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(BOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.3403	0.412	18	117.0473	0.544	23	116.8902	1.113	24	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BOO)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(BOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	116.1830	0.000	1	117.0473	0.544	23	116.8902	1.113	24	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BOO)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(BOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	115.9447	0.800	4	117.0473	0.544	23	116.8902	1.113	24	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]B)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	117.5420	0.000	1	117.5420	0.000	1	116.7495	0.185	14	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]B)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	116.6885	0.380	13	116.6885	0.144	13	116.7495	0.185	14	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(BC[6a]2)	C[6](C[6]C[5,6]H)(C[6]C[6]B)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]B)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(BC[6a]2){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]B)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]B)(H){1|H<1>,5|C<3>}	116.2020	0.892	2	116.2020	0.796	2	116.2020	0.796	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]B)(H){1|H<1>,2|C<3>}	116.7310	0.000	1	116.7310	0.000	1	116.4330	0.178	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BC[6a]2){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]B)(H){1|H<1>,2|C<3>}	116.1350	0.000	1	116.1350	0.000	1	116.4330	0.178	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CHH){1|C<3>,1|H<1>,1|P<4>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(H){1|Nb<6>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	117.0090	0.000	1	117.0090	0.000	1	117.0090	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	117.3140	0.000	1	117.3140	0.000	1	117.0042	0.029	8	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	116.9600	0.127	7	116.9600	0.016	7	117.0042	0.029	8	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CC[6a]O)	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6])(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>}	116.8500	0.000	1	116.8500	0.000	1	116.8500	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	124.2950	0.000	1	124.2950	0.000	1	121.4795	15.854	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]N)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CNO){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	118.6640	0.000	1	118.6640	0.000	1	121.4795	15.854	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(S)	C[6](C[6]C[6,6a]H)(C[6]N[6]S)(CHN){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|S<1>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(S){1|H<1>,2|C<3>}	119.8640	0.000	1	119.8640	0.000	1	119.8640	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCH){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	118.3800	0.000	1	118.3800	0.000	1	119.0324	1.378	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	118.9580	0.000	1	118.9580	0.000	1	119.0324	1.378	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CCO){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	116.9820	0.000	1	116.9820	0.000	1	119.0324	1.378	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CHN){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	119.7267	0.754	4	119.7267	0.568	4	119.0324	1.378	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:S-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(S){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	120.8945	1.497	2	120.8945	2.241	2	120.8945	2.241	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CHN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(Br){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Br<1>,1|C<3>,1|O<1>}	117.6430	0.000	1	117.6430	0.000	1	117.6430	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]Cl)2(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	114.0035	0.088	2	114.0035	0.008	2	114.0035	0.008	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CCH){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){2|Cl<1>,1|C<3>}	116.7170	0.000	1	116.7170	0.000	1	116.7170	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(F)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]F)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(F){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|F<1>,1|H<1>}	116.8220	0.000	1	116.8220	0.000	1	116.8220	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CBrC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CBrC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.5540	0.000	1	117.5540	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	116.9233	2.034	6	117.0306	3.527	7	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCC){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,2|C<4>}	117.6740	0.000	1	117.0306	3.527	7	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	115.2475	0.340	4	115.3204	0.351	10	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	115.3690	0.745	6	115.3204	0.351	10	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.2840	1.279	4	116.7657	0.802	18	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	116.3870	0.000	1	116.7657	0.802	18	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	116.8780	0.510	4	116.7657	0.802	18	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	118.2130	0.000	1	116.7657	0.802	18	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	116.3600	0.000	1	116.7657	0.802	18	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	117.2450	0.293	2	116.7657	0.802	18	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	116.4297	1.276	3	116.7657	0.802	18	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.1975	0.199	2	116.7657	0.802	18	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	115.7670	0.000	1	115.7392	0.031	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)2(CCC){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	115.8925	0.135	2	115.7392	0.031	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)2(CCC){1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	115.5720	0.020	2	115.7392	0.031	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CCC){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.4880	0.000	1	116.4880	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CCC){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	115.1910	0.000	1	115.1910	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCC)	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)2(CCC){1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	115.1970	0.315	2	115.1970	0.099	2	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<2>,1|S<2>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Re<6>,1|C<3>,1|H<1>,1|N<3>,1|S<2>}	115.4080	0.000	1	115.4080	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	115.5675	1.687	4	116.2108	4.204	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.7840	0.000	1	116.2108	4.204	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	117.2080	0.263	2	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	115.6910	0.000	1	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.3560	1.067	118	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	116.5962	0.104	4	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	116.8440	0.038	2	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	115.5918	1.116	4	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.5852	0.646	141	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	115.9865	0.630	2	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	116.7377	0.301	4	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	116.5148	0.367	5	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<8>,1|C<3>,1|H<1>}	114.6600	0.000	1	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	116.4950	0.913	6	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	116.3613	0.596	3	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	117.5467	0.196	3	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	116.7297	0.878	7	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	117.2062	1.413	5	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<9>,1|C<3>,1|H<1>}	117.0780	0.000	1	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	116.6234	0.325	7	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	116.4617	0.289	6	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	116.5426	0.611	5	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	116.6492	1.064	12	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	116.5300	0.214	4	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	116.2318	0.368	5	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	116.5528	1.087	8	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	116.2397	0.840	3	116.8947	1.031	359	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]C)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)2(CCH){1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]O[6]C)(H){1|C<3>,1|H<1>}	114.8720	0.186	3	114.8720	0.034	3	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]C)(C[6]P[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]C)(H)	C[6](C[6]C[6]H)2(CCH){1|P<4>,2|C<2>}	C[6](C[6]C[6]C)(C[6]P[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]P[6]C)(H){1|H<1>,3|C<3>}	119.4740	0.000	1	119.4740	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.0390	0.000	1	116.4825	0.222	11	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	116.2670	0.566	4	116.4825	0.222	11	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	117.2230	0.000	1	116.4825	0.222	11	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	116.7300	0.176	3	116.4825	0.222	11	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	116.3935	0.268	2	116.4825	0.222	11	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCH)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCH){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	119.0491	0.461	38	119.0491	0.212	38	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCN){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.6890	0.000	1	119.6890	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	117.4920	0.000	1	117.4920	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.5020	0.370	12	118.2516	0.398	25	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	117.0040	0.000	1	118.2516	0.398	25	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	118.1790	0.936	3	118.2516	0.398	25	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	117.7463	0.341	4	118.2516	0.398	25	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.5740	0.000	1	118.2516	0.398	25	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.6560	0.000	1	118.2516	0.398	25	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	117.8580	0.000	1	118.2516	0.398	25	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	117.7750	0.000	1	118.2516	0.398	25	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	117.8770	0.000	1	118.2516	0.398	25	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	116.8090	1.041	2	116.8090	1.083	2	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[5]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[5]2){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.4875	0.008	2	117.4875	0.000	2	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[5]C)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[5]C){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	114.3935	0.172	2	114.3935	0.030	2	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[5a]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.2057	0.785	3	117.5720	0.835	6	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[5a]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.1310	0.000	1	117.5720	0.835	6	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[5a]2)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[5a]2){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	117.3420	0.051	2	117.5720	0.835	6	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	116.6473	0.133	3	116.3700	0.319	4	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	115.5380	0.000	1	116.3700	0.319	4	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]H)	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[6]H){1|O<2>,2|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H){1|H<1>,3|C<3>}	112.7720	0.000	1	112.7720	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]O){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	116.9350	0.000	1	116.9350	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[6a]2){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	116.4890	0.000	1	116.4890	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	116.0280	0.042	2	115.1856	0.616	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	114.5910	0.000	1	115.1856	0.616	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|P<4>,2|H<1>}	114.4220	0.000	1	115.1856	0.616	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>,2|H<1>}	114.8590	0.000	1	115.1856	0.616	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC[6a]2){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.2552	0.249	13	116.2552	0.062	13	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[6a]2){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	116.6636	0.413	8	116.6636	0.171	8	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[6a]2){3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	116.7360	0.000	1	116.7360	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	117.1050	0.000	1	117.1050	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC[6a]C){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	114.0410	0.000	1	114.0410	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC[6a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.5467	0.678	3	116.5467	0.460	3	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]N){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.0220	0.000	1	120.0220	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]N){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	116.5180	0.000	1	115.8125	0.330	4	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]N){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	115.5773	0.404	3	115.8125	0.330	4	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.3270	0.000	1	118.3270	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.3510	0.000	1	117.8563	0.719	16	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.3260	0.000	1	117.8563	0.719	16	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	117.7825	1.191	2	117.8563	0.719	16	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	117.8905	0.469	2	117.8563	0.719	16	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.0160	0.446	3	117.8563	0.719	16	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	115.4560	0.000	1	117.8563	0.719	16	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	117.7850	0.451	3	117.8563	0.719	16	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	117.9310	0.071	2	117.8563	0.719	16	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.9570	0.000	1	117.8563	0.719	16	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CClO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CClO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.0420	0.000	1	120.0420	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.4420	0.000	1	117.8381	1.045	23	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>}	117.0450	0.000	1	117.8381	1.045	23	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.6790	0.000	1	117.8381	1.045	23	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	118.4490	0.000	1	117.8381	1.045	23	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<3>}	117.7800	0.000	1	117.8381	1.045	23	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	118.1574	0.779	8	117.8381	1.045	23	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	117.7517	1.543	7	117.8381	1.045	23	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	117.1203	0.306	3	117.8381	1.045	23	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	118.1140	0.000	1	118.1140	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<2>}	116.8840	0.396	2	116.7527	0.130	3	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	116.4900	0.000	1	116.7527	0.130	3	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<4>}	118.4130	0.000	1	118.4130	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>}	117.5350	0.000	1	116.0276	3.223	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>}	117.5840	0.000	1	116.0276	3.223	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	116.8090	0.000	1	116.0276	3.223	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	114.1050	0.443	2	116.0276	3.223	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.4810	0.320	2	118.4810	0.102	2	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,2|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	119.5180	0.000	1	119.5180	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.5900	0.295	10	117.9096	0.545	37	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.5437	0.503	13	117.9096	0.545	37	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	117.6800	0.000	1	117.9096	0.545	37	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	117.6700	0.384	3	117.9096	0.545	37	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	117.7760	0.000	1	117.9096	0.545	37	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	117.9280	0.000	1	117.9096	0.545	37	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	116.9193	0.799	3	117.9096	0.545	37	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	118.1333	1.231	3	117.9096	0.545	37	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	117.0670	0.453	2	117.9096	0.545	37	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	118.4230	0.000	1	118.4230	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	126.6480	0.000	1	126.6480	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	117.4780	0.000	1	117.4780	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	120.5370	0.000	1	120.5370	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	117.5550	0.000	1	117.5550	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]I)(H)	C[6](C[6]C[6]H)2(CNN){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	120.3370	0.000	2	120.3370	0.000	2	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CNN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	119.1026	0.492	5	119.1026	0.242	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	117.1320	0.000	1	116.9801	0.950	10	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.8820	0.000	1	116.9801	0.950	10	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	116.7234	0.791	8	116.9801	0.950	10	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.7530	0.585	3	118.7530	0.342	3	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<3>,1|C<3>,1|H<1>}	118.3370	0.262	2	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.4077	0.651	7	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	119.4670	0.074	2	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	117.5920	0.000	1	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.9789	0.582	68	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	118.0790	0.000	1	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	117.9380	0.000	1	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	118.6420	0.342	2	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	117.7711	0.412	13	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	118.2210	0.099	2	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	118.4065	0.101	2	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.4920	0.550	2	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,1|C<3>,1|H<1>}	118.5960	0.543	2	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	117.2787	0.489	3	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	118.4670	0.000	1	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	117.6393	0.234	4	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	117.7865	0.125	2	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.5321	1.279	8	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	118.0740	0.475	3	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.6720	0.000	1	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.6642	0.930	6	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	117.7793	0.205	3	118.4947	0.706	136	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.5810	0.000	1	118.5810	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.4010	0.000	1	117.9965	0.227	15	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.8320	0.153	2	117.9965	0.227	15	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	117.7712	0.386	8	117.9965	0.227	15	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	117.9753	0.225	3	117.9965	0.227	15	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.7860	0.000	1	117.9965	0.227	15	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNS)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CNS){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	121.0602	0.501	10	121.0602	0.251	10	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[6]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.8090	0.000	1	117.3020	3.261	3	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[6]O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	117.0485	2.477	2	117.3020	3.261	3	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	121.1400	0.718	3	121.1400	0.515	3	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	121.2610	0.000	1	121.0837	0.031	3	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,2|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	120.9950	0.124	2	121.0837	0.031	3	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(COO){1|C<2>,1|C<3>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	122.6000	0.000	1	122.6000	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(COO){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	119.6170	0.202	2	119.6170	0.041	2	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Al<6>,1|C<3>,1|H<1>}	120.4280	0.000	1	119.8918	0.246	8	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	119.4245	0.243	2	119.8918	0.246	8	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<6>,1|C<3>,1|H<1>}	119.7200	0.000	1	119.8918	0.246	8	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mn<7>,1|C<3>,1|H<1>}	119.9760	0.888	2	119.8918	0.246	8	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.0925	0.163	2	119.8918	0.246	8	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.5700	0.000	1	118.5296	0.217	21	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	117.9260	0.000	1	118.5296	0.217	21	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.7430	0.000	1	118.5296	0.217	21	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mg<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mg<6>,1|C<3>,1|H<1>}	118.1607	0.462	3	118.5296	0.217	21	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	117.6430	0.000	1	118.5296	0.217	21	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.7592	0.377	6	118.5296	0.217	21	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.2470	0.000	1	118.5296	0.217	21	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	118.8835	0.779	2	118.5296	0.217	21	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	118.7590	0.327	2	118.5296	0.217	21	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.8390	0.000	1	118.5296	0.217	21	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	118.3370	0.000	1	118.5296	0.217	21	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	118.4950	0.000	1	118.5296	0.217	21	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Au<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Au<3>,1|C<3>,1|H<1>}	118.9930	0.000	1	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.0456	0.690	14	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	117.9813	0.387	42	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.6285	1.424	46	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	118.0614	0.557	7	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.5530	0.554	2	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	118.2947	0.475	3	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.9270	0.000	1	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	118.2883	0.249	6	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	117.9565	0.067	2	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.4217	0.539	7	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.6960	0.351	3	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	118.5990	0.000	1	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	118.4810	0.276	5	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	121.8513	4.178	3	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.2000	0.000	1	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	118.3435	0.463	2	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	117.4060	0.354	2	118.6827	1.720	148	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(COO){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	119.9700	0.000	1	119.9700	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.9430	0.416	3	119.7150	0.323	4	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	119.0310	0.000	1	119.7150	0.323	4	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.0881	0.462	35	118.8981	0.417	144	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	119.0925	0.094	2	118.8981	0.417	144	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.4768	0.926	12	118.8981	0.417	144	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	118.8140	0.190	2	118.8981	0.417	144	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	120.4070	0.000	1	118.8981	0.417	144	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	119.5130	0.789	6	118.8981	0.417	144	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	119.0892	0.574	4	118.8981	0.417	144	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.9129	0.532	25	118.8981	0.417	144	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	118.7012	0.586	11	118.8981	0.417	144	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.7875	0.443	6	118.8981	0.417	144	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	118.3965	0.723	2	118.8981	0.417	144	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.7847	0.685	38	118.8981	0.417	144	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	120.7080	0.000	1	121.1425	0.378	2	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	121.5770	0.000	1	121.1425	0.378	2	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,3|C<3>}	119.8610	0.000	1	119.8610	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	117.8157	1.832	4	118.0748	2.854	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	119.1110	0.000	1	118.0748	2.854	5	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,3|C<3>}	120.4841	0.520	8	120.4841	0.270	8	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(COO){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	121.8284	0.325	7	121.6238	0.426	8	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(COO){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Mn<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Mn<8>,1|H<1>,1|N<3>,2|C<3>}	120.1910	0.000	1	121.6238	0.426	8	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CPP)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CPP){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	114.5450	0.000	1	114.5450	0.000	1	117.9008	2.262	1187	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	120.7280	0.000	1	120.7280	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	119.8300	0.000	1	119.8300	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.1490	0.000	1	119.1490	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	117.7455	0.429	2	117.7455	0.184	2	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	118.3950	0.013	2	118.8337	0.374	4	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	119.2725	0.593	2	118.8337	0.374	4	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	119.0510	0.000	1	119.0510	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]N)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]N){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	118.6835	0.343	2	118.6835	0.118	2	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	115.9440	0.000	1	115.9440	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	121.6587	0.423	6	121.6587	0.179	6	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.5931	0.887	7	120.5931	0.787	7	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	120.7725	0.285	2	120.7725	0.081	2	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]F)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(O){1|C<3>,2|H<1>}	120.5970	0.000	1	120.5970	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.0589	0.669	19	119.4717	0.766	40	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	118.2420	0.000	1	119.4717	0.766	40	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	118.0285	0.462	4	119.4717	0.766	40	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	119.2120	0.496	16	119.4717	0.766	40	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	122.1740	0.037	2	122.1740	0.001	2	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	120.5001	0.529	31	120.4543	0.339	32	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>}	119.0330	0.000	1	120.4543	0.339	32	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	121.2900	0.000	1	121.2900	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.0653	0.316	3	120.4468	0.358	27	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.4945	0.612	24	120.4468	0.358	27	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	121.4250	0.000	1	121.4250	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|N<2>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	120.8014	0.581	5	120.8014	0.338	5	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.6395	0.343	2	120.6395	0.118	2	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	120.3386	0.639	5	120.3246	0.223	9	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	120.3070	0.220	4	120.3246	0.223	9	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.4236	0.408	5	120.4236	0.166	5	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	121.5753	0.414	6	121.5753	0.172	6	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	119.6640	0.000	1	119.6640	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	122.1410	0.000	1	122.1410	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	120.7555	0.045	2	120.7555	0.002	2	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	119.9970	0.491	7	119.9970	0.242	7	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	118.5160	0.000	1	118.5160	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	120.2340	0.000	1	120.2340	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	119.6740	0.006	2	119.6740	0.000	2	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.0260	0.854	2	119.6448	0.754	4	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CNO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	120.2635	0.018	2	119.6448	0.754	4	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.4070	0.000	1	118.4070	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.2480	0.569	2	119.2480	0.323	2	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]I)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]C)(C[6]C[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	119.9220	0.000	1	119.9220	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	121.6990	0.387	27	121.6990	0.150	27	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	124.5700	0.000	1	124.5700	0.000	1	120.3747	1.276	210	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CBrC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CBrC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.3700	0.000	2	117.3700	0.000	2	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	117.5735	0.964	2	117.5735	0.929	2	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	116.7655	0.231	2	116.7655	0.053	2	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5a]2){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.4870	0.000	1	118.4870	0.000	1	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6]O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.6930	0.000	1	118.6930	0.000	1	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CClO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.9870	0.000	1	119.9870	0.000	1	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.6600	0.049	3	117.6600	0.002	3	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	116.4110	0.000	1	116.4110	0.000	1	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	121.2410	0.000	1	121.2410	0.000	1	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	118.1210	0.000	1	118.7402	0.094	23	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	118.7660	0.289	21	118.7402	0.094	23	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	118.8160	0.000	1	118.7402	0.094	23	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.0210	0.637	28	118.0210	0.406	28	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.1840	0.000	1	118.6575	0.554	2	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|Rh<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|Rh<7>,1|C<3>,1|H<1>}	118.1310	0.000	1	118.6575	0.554	2	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNS)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNS){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.1010	0.590	2	118.1010	0.348	2	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	120.4045	1.248	2	120.4045	1.558	2	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.0980	0.000	1	119.0980	0.000	1	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	119.5200	0.552	2	119.5200	0.304	2	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	119.2692	0.508	16	118.7966	0.958	21	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	117.2087	0.337	3	118.7966	0.958	21	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	117.3970	0.020	2	118.7966	0.958	21	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.7369	0.559	35	118.7369	0.312	35	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	119.1315	0.697	2	119.4395	0.302	4	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	119.7475	0.203	2	119.4395	0.302	4	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.2610	0.344	2	119.2610	0.118	2	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.1650	0.000	1	118.1650	0.000	1	118.5712	0.734	137	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(CNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(S){1|C<3>,2|H<1>}	119.4740	0.000	1	119.4740	0.000	1	119.4740	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Se-1:	C[6](C[6]N[6]Se)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(Se)	C[6](C[6]N[6]Se)(C[6]C[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Se<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(Se){1|C<3>,2|H<1>}	119.1270	0.000	1	119.1270	0.000	1	119.1270	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CCH)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CCH){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]C)(H){1|H<1>,5|C<3>}	116.4180	0.000	1	116.4180	0.000	1	116.4180	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6,6a]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(CC[6a]O)	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]H)(CC[6a]O){3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	119.0080	0.000	1	119.0080	0.000	1	119.0080	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.1455	1.051	2	116.1455	1.106	2	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.6565	0.968	2	118.6565	0.937	2	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.8518	0.356	4	117.8518	0.127	4	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.7305	0.312	2	117.7305	0.097	2	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.8570	0.835	3	117.8570	0.697	3	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Br<1>,1|Zn<6>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|N<3>,2|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	118.1655	0.452	2	118.1655	0.204	2	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.1906	0.341	5	118.1906	0.117	5	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.5134	0.879	8	118.5134	0.773	8	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cr)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.5080	0.000	1	119.5080	0.000	1	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.6350	0.244	4	118.0429	0.266	8	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.4507	0.344	4	118.0429	0.266	8	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.0180	0.386	12	119.0180	0.149	12	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.6835	0.066	2	118.6835	0.004	2	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.0180	0.337	2	118.5648	0.279	5	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.9293	0.054	3	118.5648	0.279	5	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Mo)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.6415	0.173	2	118.6415	0.030	2	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.2924	0.618	14	118.2924	0.382	14	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.2632	0.288	4	118.2632	0.083	4	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.5136	0.843	5	118.8666	0.557	12	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.1187	0.608	7	118.8666	0.557	12	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.4180	0.000	1	118.4180	0.000	1	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.3323	0.445	4	119.3323	0.198	4	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.8084	0.439	11	118.8084	0.193	11	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.3280	0.332	2	117.7682	0.305	5	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.3950	0.179	3	117.7682	0.305	5	118.4587	0.560	109	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	119.7240	0.000	1	119.7240	0.000	1	119.9554	3.531	10	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]C){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	114.9940	0.000	1	114.9940	0.000	1	119.9554	3.531	10	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.4935	0.059	2	121.4935	0.003	2	119.9554	3.531	10	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	120.1420	0.446	5	120.1420	0.199	5	119.9554	3.531	10	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	121.1390	0.000	1	121.1390	0.000	1	119.9554	3.531	10	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCC)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(CCC){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	120.6337	0.584	3	120.6337	0.341	3	120.1466	2.049	11	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CC[6]O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|O<1>,1|O<2>}	117.5660	0.338	2	117.5660	0.114	2	120.1466	2.049	11	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CHN){3|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|O<1>}	120.7633	0.822	6	120.7633	0.676	6	120.1466	2.049	11	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	118.6336	0.653	18	118.6336	0.426	18	118.7349	0.360	27	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	119.1050	0.433	6	119.1050	0.188	6	118.7349	0.360	27	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.3660	0.000	1	118.3660	0.000	1	118.7349	0.360	27	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	118.8120	0.000	1	118.7205	0.017	2	118.7349	0.360	27	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	118.6290	0.000	1	118.7205	0.017	2	118.7349	0.360	27	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	118.3097	0.134	3	118.3097	0.018	3	118.3097	0.018	3	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CSS)	C[6](C[6]C[6]C)(N[6]C[6]2)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]O)(CSS){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]2)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|O<1>}	117.7590	0.000	1	117.7590	0.000	1	117.7590	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCC)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	116.5440	0.000	1	116.5440	0.000	1	119.1454	0.661	37	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	119.3827	1.088	6	119.3827	1.184	6	119.1454	0.661	37	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	119.1810	0.307	2	119.1810	0.094	2	119.1454	0.661	37	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCN)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	119.5938	0.487	5	119.5938	0.237	5	119.1454	0.661	37	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CCO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	119.5750	0.320	2	119.5750	0.102	2	119.1454	0.661	37	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[5a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[5a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	119.8135	0.454	4	119.8135	0.207	4	119.1454	0.661	37	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	118.9137	0.525	15	118.9137	0.276	15	119.1454	0.661	37	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	119.0400	0.000	1	119.0400	0.000	1	119.1454	0.661	37	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CC[6a]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	118.0610	0.000	1	118.0610	0.000	1	119.1454	0.661	37	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CC[6a]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CC[6a]O){1|C<3>,1|C<4>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H){1|H<1>,2|N<3>}	118.2820	0.000	1	118.2820	0.000	1	118.3710	0.016	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(COO)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(COO){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]C)(H){3|Cl<1>,1|H<1>,1|O<2>,1|O<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	118.4600	0.000	1	118.4600	0.000	1	118.3710	0.016	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.1720	0.000	1	117.1720	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.5905	0.357	4	117.5905	0.127	4	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.5000	0.434	2	116.5000	0.188	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.1760	0.399	2	117.1760	0.159	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.8584	1.255	7	116.8584	1.576	7	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.1070	0.141	2	117.1070	0.020	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCH){1|Zn<4>,2|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	116.8447	1.515	6	116.8447	2.294	6	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.4430	0.000	1	117.4340	0.000	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCN){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.4250	0.000	1	117.4340	0.000	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.6710	0.000	1	118.6710	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.7455	0.457	2	117.7455	0.209	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.3400	0.000	1	118.3400	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.6320	0.000	1	118.6320	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCO){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.3105	0.873	2	118.3105	0.763	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[4]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|H<1>,2|C<3>}	C[6](N[6]C[4]C[6])(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.8510	0.000	1	117.8510	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.8843	0.210	4	117.8843	0.044	4	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.0560	0.000	1	118.0560	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.5290	0.000	1	118.5290	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]O){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.8680	0.000	1	117.8680	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.2630	0.000	1	118.2630	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.8950	0.000	1	117.8950	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.5080	0.000	1	117.5080	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.1713	1.903	7	117.1713	3.623	7	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.1365	0.989	2	117.5947	1.119	3	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.5110	0.000	1	117.5947	1.119	3	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.7300	0.000	1	117.7300	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHN){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.1700	0.000	1	118.1700	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.6960	0.000	1	118.6960	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.2835	0.066	2	118.2835	0.004	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.7945	0.097	2	118.7945	0.009	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.9435	1.387	2	118.9435	1.923	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.1560	0.000	1	118.0707	0.223	29	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.0676	0.480	28	118.0707	0.223	29	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.8280	0.305	8	117.8131	0.084	9	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Cu<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.6940	0.000	1	117.8131	0.084	9	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.0734	1.018	5	118.0734	1.037	5	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.2314	0.494	7	118.1400	0.276	8	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Mn<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.5000	0.000	1	118.1400	0.276	8	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.4043	0.414	13	118.4043	0.171	13	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.3776	0.518	5	118.3776	0.268	5	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.2700	0.697	4	118.2700	0.485	4	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.0528	0.789	11	118.0528	0.622	11	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.1966	0.371	5	119.1966	0.138	5	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.9775	0.407	2	118.2678	0.271	10	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.1380	0.491	4	118.2678	0.271	10	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CNO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.5427	0.582	4	118.2678	0.271	10	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cd<6>,1|C<3>,1|O<2>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|N<3>,2|H<1>}	118.9630	0.000	1	118.9630	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]F)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|F<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(H){1|N<3>,2|H<1>}	118.0120	0.000	1	118.0120	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	119.0080	0.000	1	119.0080	0.000	1	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.2310	0.000	1	118.1374	0.435	8	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.4820	0.528	2	118.1374	0.435	8	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.7530	0.673	4	118.1374	0.435	8	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Cu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.8920	0.000	1	118.1374	0.435	8	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	119.0965	0.023	2	118.8160	0.236	3	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.2550	0.000	1	118.8160	0.236	3	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.1838	0.777	19	118.1838	0.604	19	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	116.9340	0.000	1	117.0530	0.028	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.1720	0.000	1	117.0530	0.028	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.6000	0.263	4	118.5675	0.047	6	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.5025	0.124	2	118.5675	0.047	6	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Ni<6>,2|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.9700	0.035	2	117.9700	0.001	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.6544	0.514	5	118.6544	0.265	5	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pd<4>,2|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	119.3150	0.107	2	119.3150	0.012	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Pt<6>,2|C<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	118.3770	0.181	2	118.3770	0.033	2	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.3245	0.025	2	118.4267	0.032	3	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	118.6310	0.000	1	118.4267	0.032	3	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(COO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(COO){1|Re<6>,2|C<3>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	119.0312	0.472	4	119.0312	0.223	4	118.0714	0.724	221	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	P[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]H)(COO)	C[6](P[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]H)(COO){1|Cu<4>,1|C<3>,1|H<1>}	C[6](P[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|O<2>,1|P<3>}	122.4600	0.000	1	122.4600	0.000	1	122.4600	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]2)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|N<2>,2|O<1>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]2)(O){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]2)(H){1|N<3>,1|O<1>,3|C<3>}	122.1550	0.256	2	122.1550	0.066	2	122.1550	0.066	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){2|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H){1|O<1>,4|C<3>}	115.9058	0.411	6	116.5919	3.435	7	116.5919	3.435	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H){1|O<1>,4|C<3>}	120.7080	0.000	1	116.5919	3.435	7	116.5919	3.435	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]Cl)(C[6]C[6]H){2|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(Cl){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cl<1>,1|Co<6>,3|C<3>}	117.0940	0.000	1	117.0940	0.000	1	117.0940	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	116.0060	0.000	1	116.0060	0.000	1	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	118.3050	0.174	3	118.3050	0.030	3	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)2{1|H<1>,3|C<3>,3|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	117.3680	0.000	1	117.3680	0.000	1	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	116.3180	0.000	1	116.3180	0.000	1	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	114.2995	0.200	2	114.8017	0.777	3	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	115.8060	0.000	1	114.8017	0.777	3	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|H<1>,1|O<1>,3|C<3>}	115.7870	0.846	3	115.7870	0.715	3	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	117.1240	0.000	1	113.9901	1.569	10	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|O<1>,2|O<2>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	114.2562	0.133	4	113.9901	1.569	10	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|O<1>,4|C<4>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	113.1504	0.330	5	113.9901	1.569	10	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<3>,2|N<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	117.6116	0.775	10	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,2|C<3>,2|H<1>}	118.1830	0.000	1	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Al<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Al<4>,1|H<1>,3|C<3>}	118.6320	0.199	2	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	115.1513	2.668	3	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	117.0330	0.000	1	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<6>,1|H<1>,3|C<3>}	117.4580	0.000	1	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.0330	1.252	354	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cd<4>,1|H<1>,3|C<3>}	116.5950	0.000	1	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cd<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cd<6>,1|H<1>,3|C<3>}	115.8740	0.000	1	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<5>,1|H<1>,3|C<3>}	117.0940	0.000	1	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	116.5534	0.845	21	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<8>,1|H<1>,3|C<3>}	115.6940	0.000	1	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	116.3590	1.034	9	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	117.1523	1.596	6	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	117.1270	0.651	12	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	117.8667	1.150	3	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	116.1320	0.725	89	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	116.5948	0.769	19	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|W<6>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|W<6>,3|C<3>}	116.9790	0.270	2	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	117.8995	1.119	36	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	115.5705	0.985	2	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	116.2780	1.024	6	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Mo<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Mo<6>,1|H<1>,3|C<3>}	116.0867	0.796	3	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	116.7606	0.732	5	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	117.3440	0.311	2	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	117.5203	0.996	19	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	117.4195	1.447	10	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	116.3017	1.218	10	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	116.3163	1.223	13	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Rh<9>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Rh<9>,1|H<1>,3|C<3>}	116.6520	0.000	1	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	117.2780	0.689	5	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Sn<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Sn<5>,1|H<1>,3|C<3>}	115.6270	0.000	1	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ti<12>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ti<12>,1|H<1>,3|C<3>}	115.8400	0.597	2	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	117.2574	0.958	8	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	116.9260	1.143	3	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	116.7050	0.000	1	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){2|H<1>,3|C<3>}	117.7296	1.033	272	117.1462	1.484	936	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	118.3320	0.931	2	118.0012	0.907	4	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	117.6705	1.190	2	118.0012	0.907	4	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	119.0748	0.602	4	118.8599	0.533	10	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Cr<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Cr<6>,1|H<1>,1|N<3>,4|C<3>}	119.6350	0.000	1	118.8599	0.533	10	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Cu<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Cu<6>,1|H<1>,1|N<3>,4|C<3>}	118.3235	0.851	2	118.8599	0.533	10	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	119.4940	0.000	1	118.8599	0.533	10	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ni<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Ni<6>,1|H<1>,1|N<3>,4|C<3>}	118.2620	0.711	2	118.8599	0.533	10	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H){1|Os<7>,1|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Os<7>,1|H<1>,3|C<3>}	115.4640	0.000	1	115.4640	0.000	1	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H){1|H<1>,5|C<3>}	114.5343	3.446	4	114.5343	11.876	4	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]S[6])(C[6]C[6]2)(H)	C[6](C[6]C[6a]S[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6])(C[6]C[6]2)(H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]S[6])(C[6]C[6]2)(H){1|H<1>,5|C<3>}	116.6380	0.000	1	116.6380	0.000	1	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(C[6]N[6]2){1|C<3>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	118.0350	0.000	1	118.0350	0.000	1	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](C[6]C[6]2)(C[6]O[6]C)(H)	C[6](C[6]C[6]2)(C[6]O[6]C)(H)	C[6](C[6]C[6]H)2(C[6]N[6]2){1|O<2>,2|C<4>,4|C<3>}	C[6](C[6]C[6]2)(C[6]O[6]C)(H){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]2)(C[6]O[6]C)(H){1|C<3>,1|H<1>,2|N<3>}	111.5020	0.000	1	111.5020	0.000	1	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(C[6]N[6]2){1|N<3>,6|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H){1|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H){1|H<1>,2|N<3>,4|C<3>}	111.5370	0.000	1	111.5370	0.000	1	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(C[6]N[6]2)	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]H)2(C[6]N[6]2){1|O<2>,6|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H){1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H){1|H<1>,2|N<3>,3|C<3>}	120.4480	0.000	1	120.4480	0.000	1	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)2{1|Pd<4>,1|C<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,2|C<3>}	117.9870	0.000	1	117.9870	0.000	1	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	118.9805	0.083	2	118.9805	0.007	2	117.1101	1.747	985	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(C[6]N[6]2)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(C[6]N[6]2){1|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<3>,2|H<1>,2|N<3>}	119.9080	0.000	1	119.9080	0.000	1	119.9080	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(N[6]C[6]H)(H){2|H<1>,3|C<3>}	117.8130	0.191	2	117.7728	0.111	5	117.7728	0.111	5	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){2|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(N[6]C[6]H)(H){2|H<1>,3|C<3>}	117.7460	0.448	3	117.7728	0.111	5	117.7728	0.111	5	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]2)(H)	C[6](C[6]C[5a,6]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,1|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]2)(H){2|H<1>,3|C<3>}	118.8070	0.000	1	118.8070	0.000	1	117.5907	0.847	28	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]2)(H){1|H<1>,4|C<3>}	117.2666	0.683	17	117.2666	0.467	17	117.5907	0.847	28	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]2)(H){1|H<1>,4|C<3>}	118.0200	1.070	10	118.0200	1.145	10	117.5907	0.847	28	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	118.4070	0.000	1	118.4070	0.000	1	118.4070	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]N[6]O)2	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]N[6]O)2{1|C<3>,2|C<4>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	119.5987	0.744	4	119.5987	0.553	4	119.5987	0.553	4	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(C[6a]C[6a]2)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6a]C[6])(H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]H)2(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6a]C[6])(H){1|Ga<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6a]C[6])(H){1|Ga<5>,1|H<1>,1|N<3>,4|C<3>}	117.3120	0.000	1	117.3120	0.000	1	117.3120	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6](C[6,6a]N[6,6,6a]C[6a,6a])(C[6]C[6a]C[6])(H)	C[6](C[6,6]N[6,6,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]H)(C[6a]C[6a]2){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6,6a]N[6,6,6a]C[6a,6a])(C[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	C[6](C[6,6]N[6,6,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	117.6580	0.000	1	117.6580	0.000	1	117.6580	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC)	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]N)(H)	C[6](C[6]N[4,6]C)(C[6]C[6]N)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC){1|N<3>,2|C<4>}	C[6](C[4,6]N[4,6]C[4])(C[6]C[6]N)(H){1|B<4>,1|C<3>,3|H<1>}	C[6](C[6]N[4,6]C)(C[6]C[6]N)(H){1|B<4>,1|C<3>,1|H<1>}	117.5660	0.000	1	117.5660	0.000	1	117.2340	0.220	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[4,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC)	C[6](C[4,6]N[4,6]Si[4])(C[6]C[6]N)(H)	C[6](C[6]N[4,6]H)(C[6]C[6]N)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(NCC){1|Si<3>,1|H<1>,1|N<3>}	C[6](C[4,6]N[4,6]Si[4])(C[6]C[6]N)(H){2|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]N[4,6]H)(C[6]C[6]N)(H){1|Si<4>,1|C<3>,1|H<1>}	116.9020	0.000	1	116.9020	0.000	1	117.2340	0.220	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)2(NCC)	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]N)(H)	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6,6]H)2(NCC){1|N<3>,2|N<4>}	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6,6]N[3x6]N[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,4|C<4>}	115.8990	0.000	1	115.8990	0.000	1	115.8990	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(NCH){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	118.0857	0.194	3	118.0857	0.038	3	118.0857	0.038	3	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	120.8410	0.351	2	120.8410	0.123	2	118.6707	1.826	12	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	118.2010	0.000	1	117.5498	0.204	6	118.6707	1.826	12	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	117.4196	0.358	5	117.5498	0.204	6	118.6707	1.826	12	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|C<4>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	119.0795	0.620	2	119.1550	0.209	3	118.6707	1.826	12	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	119.3060	0.000	1	119.1550	0.209	3	118.6707	1.826	12	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(NHH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Br){1|O<1>,2|C<3>}	119.6020	0.000	1	119.6020	0.000	1	118.6707	1.826	12	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	121.3360	0.619	2	121.3360	0.384	2	119.2229	1.896	14	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	118.3230	0.000	1	118.7446	1.017	8	119.2229	1.896	14	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	118.8049	1.073	7	118.7446	1.017	8	119.2229	1.896	14	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[5a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[5a]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	118.7640	0.000	1	118.7640	0.000	1	119.2229	1.896	14	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	117.7630	0.000	1	117.7630	0.000	1	119.2229	1.896	14	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]C){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	121.1850	0.000	1	121.1850	0.000	1	119.2229	1.896	14	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|Cl<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(Cl){1|O<1>,2|C<3>}	118.7790	0.000	1	118.7790	0.000	1	119.2229	1.896	14	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCC){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	120.1647	1.885	4	120.1647	3.554	4	120.4313	0.862	29	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	121.1860	0.000	1	120.6202	0.500	18	120.4313	0.862	29	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	120.7128	1.095	5	120.6202	0.500	18	120.4313	0.862	29	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	120.3800	0.000	1	120.6202	0.500	18	120.4313	0.862	29	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	120.6121	0.555	10	120.6202	0.500	18	120.4313	0.862	29	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NCH){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	119.9130	0.000	1	120.6202	0.500	18	120.4313	0.862	29	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	119.1900	0.000	1	119.1900	0.000	1	120.4313	0.862	29	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	120.1910	0.000	1	120.1910	0.000	1	120.4313	0.862	29	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	120.6035	0.793	2	120.6035	0.628	2	120.4313	0.862	29	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NHH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<1>,2|C<3>}	120.0320	0.802	3	120.0320	0.644	3	120.4313	0.862	29	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(F)	C[6](C[6]C[6]N)(C[6]N[6]H)(F)	C[6](C[6]C[6]F)2(NOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(F){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(F){1|C<3>,1|F<1>,1|O<1>}	116.0480	0.000	1	116.0480	0.000	1	116.0480	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	114.6420	0.000	1	114.6420	0.000	1	114.6420	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(Cl){1|C<3>,2|H<1>}	114.4180	0.000	1	114.4180	0.000	1	114.4180	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCC){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	123.3402	11.960	4	123.3402	143.042	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|H<1>,2|C<3>}	118.0033	0.321	4	118.0033	0.103	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	117.8375	0.117	2	116.9412	1.024	5	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<4>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	115.9970	0.000	1	116.9412	1.024	5	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<4>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	116.5170	1.107	2	116.9412	1.024	5	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	115.8537	0.294	3	115.7223	0.189	10	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	116.1250	0.000	1	115.7223	0.189	10	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	115.0960	0.293	2	115.7223	0.189	10	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	115.8950	0.366	2	115.7223	0.189	10	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	115.4290	0.000	1	115.7223	0.189	10	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	116.1260	0.000	1	115.7223	0.189	10	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ag<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ag<2>,1|C<3>,1|H<1>}	115.7650	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	115.8500	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Al<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Al<3>,1|C<3>,1|H<1>}	115.6685	0.193	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	115.4870	0.083	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Al<5>,1|C<3>,1|H<1>}	114.5490	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|As<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|As<3>,1|C<3>,1|H<1>}	115.9333	0.268	3	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|As<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|As<6>,1|C<3>,1|H<1>}	115.9050	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Au<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Au<2>,1|C<3>,1|H<1>}	114.2345	1.822	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	115.4232	0.493	4	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	115.5444	0.287	26	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	115.4077	0.492	10	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	115.3255	0.125	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<3>}	115.9370	0.390	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	115.9190	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	116.4015	0.878	4	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<3>}	115.4581	0.480	8	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|P<4>}	115.7198	0.611	12	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<2>}	115.3700	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	116.6630	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<9>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<9>}	115.5620	0.662	4	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	116.1198	0.570	109	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	115.5280	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	115.2210	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	115.7422	0.407	5	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	115.4250	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	115.4940	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	115.3473	0.447	3	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	115.5242	0.589	6	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	115.3943	0.454	11	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	115.8457	0.048	3	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	115.4503	0.211	3	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	115.6630	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	115.8035	0.360	4	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ge<3>,1|C<3>,1|H<1>}	115.6480	0.123	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	115.6943	0.396	18	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|In<4>,1|C<3>,1|H<1>}	115.6270	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	115.3430	0.718	6	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	115.8970	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	115.9125	0.008	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mg<5>,1|C<3>,1|H<1>}	115.6000	0.061	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	115.3550	0.232	4	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	115.1922	0.234	10	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Nb<5>,1|C<3>,1|H<1>}	115.6120	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<3>,1|C<3>,1|H<1>}	115.4587	1.270	3	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	115.2860	0.013	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	115.7067	1.336	22	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	114.9263	0.615	3	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	115.6820	0.698	4	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	114.4774	1.521	8	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<8>,1|C<3>,1|H<1>}	114.8200	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	116.0070	0.301	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	115.1147	0.412	17	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	114.5490	0.000	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	115.2893	0.200	3	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<3>,1|C<3>,1|H<1>}	115.6770	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	115.7266	0.458	11	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	115.7180	0.240	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	114.5490	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Te<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Te<3>,1|C<3>,1|H<1>}	116.0480	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ti<10>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ti<10>,1|C<3>,1|H<1>}	115.5560	0.000	2	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	114.9510	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	115.3227	0.417	4	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<14>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<14>,1|C<3>,1|H<1>}	115.4580	0.000	1	115.6730	0.516	375	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]N[6]Th)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCC){1|Th<13>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Th<13>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Th)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	116.0560	0.000	1	116.0560	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]N[6]Zr)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCC){1|Zr<12>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<12>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Zr)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	116.5015	0.235	2	116.6907	0.135	3	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]N[6]Zr)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCC){1|Zr<13>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<13>,1|C<3>,1|H<1>}	C[6](C[6]N[6]Zr)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	117.0690	0.000	1	116.6907	0.135	3	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	116.4355	0.695	2	116.4355	0.483	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	117.8990	1.657	2	118.2790	1.233	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	118.6590	0.612	2	118.2790	1.233	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCC){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){1|Ni<5>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){1|Ni<5>,1|H<1>,1|O<2>,3|C<3>}	117.3720	0.696	2	117.3720	0.484	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	115.5410	0.530	2	116.0442	0.664	5	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Cu<5>,1|C<3>,1|H<1>}	116.3797	0.875	3	116.0442	0.664	5	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	116.5963	0.611	10	116.5612	0.349	11	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	116.2100	0.000	1	116.5612	0.349	11	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCH){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	120.0900	0.000	1	120.0900	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	119.9150	0.000	1	119.9150	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)2(NCH){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>}	120.1120	0.000	1	120.1120	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.5525	0.495	10	117.6288	0.493	52	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	116.1760	0.000	1	117.6288	0.493	52	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.0839	0.690	15	117.6288	0.493	52	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<4>,1|C<3>,1|H<1>}	117.7930	0.000	1	117.6288	0.493	52	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	118.0350	0.000	1	117.6288	0.493	52	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	117.6160	0.692	3	117.6288	0.493	52	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	117.2465	0.282	2	117.6288	0.493	52	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	116.7560	0.000	1	117.6288	0.493	52	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	117.0226	0.594	7	117.6288	0.493	52	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.7770	0.474	9	117.6288	0.493	52	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	117.3315	1.356	2	117.6288	0.493	52	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCH)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCH){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	119.8020	0.000	1	119.8020	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.1170	0.000	1	119.2957	0.189	3	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	119.3850	0.574	2	119.2957	0.189	3	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.4890	0.000	1	119.4890	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	117.2510	0.139	2	117.3715	0.090	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	117.4920	0.440	2	117.3715	0.090	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	118.2360	0.000	1	118.2360	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NC[6]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.1021	0.682	24	118.0034	0.563	26	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NC[6]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	116.4220	0.000	1	118.0034	0.563	26	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NC[6]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	117.2150	0.000	1	118.0034	0.563	26	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NC[6a]2){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	117.1635	0.948	2	117.8243	1.760	3	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NC[6a]2){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	119.1460	0.000	1	117.8243	1.760	3	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NC[6a]2){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	116.6200	0.000	1	116.6200	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.2070	0.327	2	117.1778	0.137	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.5370	0.000	1	117.1778	0.137	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	116.7600	0.000	1	117.1778	0.137	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]O)	C[6](C[6]C[6]Br)(C[6]C[6]N)(H)	C[6](C[6]C[6]Br)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NC[6a]O){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	120.1920	0.000	1	120.1920	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]O)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NC[6a]O){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	118.7912	0.461	10	118.7912	0.212	10	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]S)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NC[6a]S){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	121.7150	0.000	1	121.7150	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCoC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCoC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	115.3590	0.421	2	115.3590	0.178	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCuC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NCuC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	118.7248	2.391	4	118.7248	5.717	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NFeC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NFeC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	115.1715	0.206	2	115.1715	0.042	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[5]N[6])(C[6]C[6]N)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NHH){1|C<3>,2|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	118.4870	0.079	2	118.4870	0.006	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NHH){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	118.1270	0.000	1	118.1270	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	116.7708	0.320	4	116.7708	0.102	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Au<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Au<3>,1|C<3>,1|H<1>}	117.4740	0.000	1	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.7537	0.672	42	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	115.6825	1.699	2	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<5>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<5>}	115.4793	0.607	3	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.1770	0.724	118	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	117.0160	0.000	1	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	116.3560	0.000	1	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	116.1765	0.827	2	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	115.7450	0.393	3	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	116.1570	0.132	2	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	116.6820	0.000	1	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	115.9860	0.000	1	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	116.7008	0.722	5	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	116.5200	0.206	2	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.8110	4.023	4	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	116.2570	0.374	3	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	115.6895	0.313	2	116.9518	0.884	193	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	116.9840	0.201	2	117.2237	0.192	3	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	117.7030	0.000	1	117.2237	0.192	3	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	117.0100	0.000	1	117.2675	0.133	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHH)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	117.5250	0.000	1	117.2675	0.133	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.0390	0.000	1	118.2812	0.336	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHN)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.3620	0.682	3	118.2812	0.336	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHP)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHP){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	116.7630	0.000	1	116.7630	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NHS)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NHS){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.6604	0.528	7	118.6604	0.279	7	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[5,6]N)(C[6]C[6]N)(H)	C[6](C[6]C[5,6]N)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO){1|C<4>,2|N<3>}	C[6](C[6]C[5,6]N)(C[6]C[6]N)(H){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[5,6]N)(C[6]C[6]N)(H){1|C<3>,1|H<1>,2|O<2>}	120.2550	0.000	1	120.2550	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[5a]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[5a]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO){3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.6545	0.480	2	121.6545	0.231	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	120.5850	0.000	1	120.5850	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	121.3680	0.000	1	121.6740	0.187	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO){3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	121.9800	0.000	1	121.6740	0.187	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	120.9725	0.047	2	121.0665	0.147	28	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	121.0737	0.398	26	121.0665	0.147	28	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	122.2560	0.000	1	122.2560	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	121.5106	0.605	29	121.5106	0.366	29	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	120.9910	0.650	32	120.9910	0.422	32	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	123.2180	0.000	1	123.1950	0.001	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,2|H<1>}	123.1720	0.000	1	123.1950	0.001	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	121.0240	0.448	17	121.0240	0.201	17	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|N<3>,1|S<4>}	C[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	122.0370	0.000	1	122.0370	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.0400	0.810	2	121.3654	0.262	5	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	121.4340	0.000	1	121.3654	0.262	5	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NOO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.7160	0.000	1	121.3654	0.262	5	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NOO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	121.5970	0.000	1	121.3654	0.262	5	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.2599	0.408	9	121.3429	0.304	12	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	121.5920	0.937	3	121.3429	0.304	12	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]I)(H)	C[6](C[6]C[6]H)2(NOO){1|H<1>,1|I<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]I)(H){1|C<3>,1|H<1>,1|O<1>}	121.3970	0.000	2	121.3970	0.000	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	121.2199	0.448	336	121.2199	0.201	336	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	122.0815	0.101	2	122.1398	0.024	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	122.1980	0.221	2	122.1398	0.024	4	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NOO){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.5570	0.000	1	121.5570	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NOO){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	121.2170	0.000	1	121.2170	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NOO)	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NOO){2|Cl<1>,1|N<3>}	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]N[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	121.9660	0.000	1	121.9660	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NPdC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NPdC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.4770	0.000	1	117.4770	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NRuC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NRuC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.5010	0.000	1	117.1635	0.228	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NRuC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NRuC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	116.8260	0.000	1	117.1635	0.228	2	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NZnC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NZnC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	119.9600	0.000	1	119.9600	0.000	1	118.3365	6.792	1244	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	117.3900	0.000	1	117.3900	0.000	1	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	120.4640	0.000	1	120.4640	0.000	1	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	119.8330	0.000	1	119.8330	0.000	1	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	122.5700	0.000	1	122.5700	0.000	1	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	120.6700	0.000	1	120.6700	0.000	1	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	119.6285	0.059	2	119.6285	0.003	2	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	120.2740	0.000	1	120.2740	0.000	1	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	120.1782	0.267	5	120.1782	0.071	5	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|H<1>}	124.7020	0.812	2	124.7020	0.659	2	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|H<1>}	124.7570	1.052	6	124.7570	1.106	6	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	123.7305	0.083	2	123.7305	0.007	2	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	119.9780	0.000	1	121.1610	2.799	2	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	122.3440	0.000	1	121.1610	2.799	2	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<2>,2|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>}	C[6](C[6]C[6]N)2(O){1|C<3>,1|H<1>}	124.4800	0.000	1	124.4129	0.760	676	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|H<1>}	124.4309	0.859	668	124.4129	0.760	676	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)2(O){1|C<3>,1|H<1>,1|O<2>}	122.6921	0.210	7	124.4129	0.760	676	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NPdP)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(NPdP){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	118.7190	0.000	1	118.7190	0.000	1	124.3176	1.180	702	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	116.0700	0.000	1	116.0700	0.000	1	115.7530	0.617	5	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	115.5190	0.000	1	115.5190	0.000	1	115.7530	0.617	5	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:Cl-1:	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl)	C[6](C[6]N[6]Cl)(C[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(Cl){1|C<3>,2|H<1>}	115.7253	1.075	3	115.7253	1.156	3	115.7530	0.617	5	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	118.2495	0.517	6	118.2495	0.267	6	117.2518	0.915	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.8445	0.690	22	117.8445	0.476	22	117.2518	0.915	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	118.5975	0.081	2	118.5975	0.007	2	117.2518	0.915	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCoC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCoC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	117.3081	0.677	9	117.3081	0.459	9	117.2518	0.915	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	117.4529	0.641	7	117.4529	0.411	7	117.2518	0.915	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	116.2985	0.337	4	116.6450	0.822	39	117.2518	0.915	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	116.6846	0.945	35	116.6450	0.822	39	117.2518	0.915	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NIrC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NIrC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	117.4810	0.000	1	117.4810	0.000	1	117.2518	0.915	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NNiC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NNiC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	117.2022	0.470	4	117.2022	0.221	4	117.2518	0.915	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	117.2160	0.000	1	117.5827	0.848	6	118.1620	2.899	22	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	117.6560	1.010	5	117.5827	0.848	6	118.1620	2.899	22	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NC[6a]2)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NC[6a]2){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	117.4480	0.000	1	117.4480	0.000	1	118.1620	2.899	22	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	116.8230	0.399	2	116.8230	0.159	2	118.1620	2.899	22	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	117.4360	0.000	1	117.4612	0.100	9	118.1620	2.899	22	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	117.4644	0.338	8	117.4612	0.100	9	118.1620	2.899	22	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	120.9445	0.327	2	120.9445	0.107	2	118.1620	2.899	22	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	121.9665	0.777	2	121.9665	0.604	2	118.1620	2.899	22	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H)	C[6](C[6]C[6]F)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(F)	C[6](C[6]C[6]F)(C[6]C[6]O)(NC[6]H){1|C<3>,1|F<1>,1|O<1>}	C[6](C[6]C[6]F)(C[6]C[6]N)(O){1|C<3>,1|F<1>,1|N<2>}	C[6](C[6]C[6]N)(C[6]C[6]O)(F){1|C<3>,1|N<2>,1|O<1>}	117.4590	0.000	1	117.4590	0.000	1	117.4590	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	118.4890	0.420	2	118.4890	0.176	2	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	121.7335	0.098	2	121.8190	0.159	8	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	121.8475	0.466	6	121.8190	0.159	8	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	118.7330	0.254	3	119.4280	0.956	5	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	120.4705	0.268	2	119.4280	0.956	5	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	121.0170	0.240	2	121.2494	0.341	33	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	121.4645	0.415	24	121.2494	0.341	33	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	120.5783	0.647	7	121.2494	0.341	33	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6]H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,2|O<1>}	121.7140	0.276	2	121.7140	0.076	2	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	118.4390	0.402	2	118.4390	0.161	2	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	121.0910	0.460	2	121.0910	0.211	2	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NC[6a]H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|N<3>,1|O<1>}	119.5610	0.000	1	119.5610	0.000	1	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	120.5390	0.000	1	120.5390	0.000	1	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN)	C[6](C[6]C[6]N)(C[6]C[6]S)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHN){1|C<3>,1|N<3>,1|S<4>}	C[6](C[6]C[6]N)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	123.2730	0.000	1	123.2730	0.000	1	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	122.8616	0.513	29	122.8616	0.263	29	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|H<1>,1|O<1>}	122.7402	0.432	17	122.7402	0.187	17	121.7993	1.637	103	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)2(O){1|C<3>,1|O<1>,1|O<2>}	125.1360	0.000	1	124.0635	0.768	4	124.0635	0.768	4	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|O<1>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|O<1>}	123.7060	0.620	3	124.0635	0.768	4	124.0635	0.768	4	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	119.3470	0.000	1	119.3470	0.000	1	120.7196	0.490	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	120.9483	0.386	6	120.9483	0.149	6	120.7196	0.490	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	121.6743	0.476	9	121.6743	0.227	9	121.6743	0.227	9	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H){1|H<1>,1|N<2>,1|N<3>}	121.3160	0.000	1	121.7773	0.251	3	121.7773	0.251	3	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(NOO){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]N)(H){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]N)(H){1|H<1>,1|N<3>,1|O<2>}	122.0080	0.429	2	121.7773	0.251	3	121.7773	0.251	3	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Ag)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Ag<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	117.4620	0.000	1	117.4620	0.000	1	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Cd)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	117.7310	0.762	8	117.7310	0.581	8	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.2256	0.193	5	118.2256	0.037	5	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Cu)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	116.4757	0.156	3	116.4757	0.024	3	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Hg)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.4140	0.000	1	117.9985	0.234	13	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Hg)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Hg<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	117.9638	0.488	12	117.9985	0.234	13	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Mn)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.3160	0.025	2	118.3160	0.001	2	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.4250	0.459	4	118.4250	0.210	4	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.6605	0.784	4	118.6605	0.615	4	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.2406	1.338	52	118.2406	1.790	52	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	117.9645	1.013	12	118.0139	0.883	14	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NCH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.3100	0.031	2	118.0139	0.883	14	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Cd)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	116.9120	0.713	2	116.9120	0.508	2	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	117.7530	0.000	1	117.5367	0.127	3	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Co<7>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	117.4285	0.428	2	117.5367	0.127	3	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Cu)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	117.7360	0.000	1	117.3785	0.256	2	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Cu)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	117.0210	0.000	1	117.3785	0.256	2	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	116.9510	0.000	1	116.9510	0.000	1	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Mn)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	116.7230	0.000	1	116.7230	0.000	1	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	117.2355	0.674	2	117.2355	0.454	2	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Re)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	117.4310	0.546	5	117.4310	0.298	5	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Ru)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	117.5160	0.604	3	117.5160	0.365	3	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	116.7510	0.000	1	116.7510	0.000	1	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP)	C[6](N[6]C[6]Cd)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.1419	1.702	8	118.1419	2.897	8	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NHP){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.4191	2.154	8	118.4191	4.639	8	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NIrN)	C[6](N[6]C[6]Ir)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NIrN){1|Ir<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	118.8720	1.291	2	118.8720	1.667	2	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](N[6]C[6]Co)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	122.0400	0.000	1	122.0400	0.000	1	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	121.5235	0.701	2	121.5235	0.491	2	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	122.1280	0.000	1	122.1280	0.000	1	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NOO){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	121.5200	0.000	1	121.5200	0.000	1	118.1495	1.799	149	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N[5])(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N[5])(Cl){1|O<1>,2|C<3>,2|C<4>}	116.2340	0.000	1	116.2340	0.000	1	116.2340	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]O)(Cl)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|O<1>,3|C<4>,4|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O){2|Cl<1>,1|C<3>,2|C<4>}	116.3690	0.000	1	116.3690	0.000	1	116.3690	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2){1|Pt<4>,1|C<2>,1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|H<1>,3|C<3>}	121.9320	0.000	1	121.9320	0.000	1	117.5069	4.175	11	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H){1|Co<4>,1|C<3>,1|H<1>,2|C<4>}	118.7085	0.066	2	117.7528	1.279	4	117.5069	4.175	11	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>,2|C<4>}	116.4980	0.000	1	117.7528	1.279	4	117.5069	4.175	11	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,4|C<4>,4|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>,2|C<4>}	117.0960	0.000	1	117.7528	1.279	4	117.5069	4.175	11	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<4>,2|H<1>,2|O<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	118.3190	0.000	1	116.6055	2.644	6	117.5069	4.175	11	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	115.7170	0.000	1	116.6055	2.644	6	117.5069	4.175	11	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	116.3290	0.000	1	116.6055	2.644	6	117.5069	4.175	11	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|Zn<3>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|Zn<3>,1|C<3>,1|H<1>,2|C<4>}	114.7990	0.000	1	116.6055	2.644	6	117.5069	4.175	11	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>,2|C<4>}	117.2345	2.316	2	116.6055	2.644	6	117.5069	4.175	11	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2){1|Fe<8>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	124.2050	0.000	1	124.2050	0.000	1	123.7750	0.370	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	123.3450	0.000	1	123.3450	0.000	1	123.7750	0.370	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2){1|Rh<6>,1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	119.0000	0.000	1	119.0000	0.000	1	119.0708	0.656	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(N[6]C[6]Pd)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2){1|Pd<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5])(N[6]C[6]Pd)(H){2|H<1>,3|C<3>}	119.3470	0.796	4	119.3470	0.634	4	119.0708	0.656	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(N[6]C[6]Re)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[5]C[5]2){1|Re<6>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5])(N[6]C[6]Re)(H){2|H<1>,3|C<3>}	118.0370	0.000	1	118.0370	0.000	1	119.0708	0.656	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O)	C[6](C[6]C[6]N[5])(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>,2|C<4>}	118.3560	0.000	1	118.3560	0.000	1	118.3560	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N[6])(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]Cl)(N[6]C[6]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[6])(O){1|Cl<1>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N[6])(Cl){1|O<1>,2|C<3>,2|C<4>}	117.7500	0.437	2	117.7500	0.191	2	117.7500	0.191	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(Cl)	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(N[6]C[6]2){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]Cl)(O){2|Cl<1>,1|C<3>,2|C<4>}	117.8260	0.000	1	117.8260	0.000	1	117.8260	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[5]N[6])(H)	C[6](C[6]C[6]N[6])(C[6]N[5]N[6])(H)	C[6](C[6]C[6]H)2(N[6]C[6]2){2|C<4>,3|N<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[5]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[6])(C[6]N[5]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.2055	0.357	2	117.2055	0.128	2	118.1148	5.115	24	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Cu<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Cu<6>,1|H<1>,3|C<3>}	119.4110	0.000	1	116.4975	3.503	12	118.1148	5.115	24	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	119.3900	0.000	2	116.4975	3.503	12	118.1148	5.115	24	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	115.7640	0.416	2	116.4975	3.503	12	118.1148	5.115	24	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,2|H<1>}	115.4270	0.442	4	116.4975	3.503	12	118.1148	5.115	24	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|H<1>,2|C<3>,2|C<4>}	115.7610	0.000	1	116.4975	3.503	12	118.1148	5.115	24	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(N[6]C[6]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|C<4>}	115.3910	1.976	2	116.4975	3.503	12	118.1148	5.115	24	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(N[6]C[6]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]H)2(N[6]C[6]2){7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|H<1>,1|O<1>,5|C<3>}	120.2375	0.315	10	120.2375	0.099	10	118.1148	5.115	24	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2){1|B<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]B)(H){2|H<1>,3|C<3>}	120.1339	0.435	7	120.1339	0.190	7	120.2656	0.301	8	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(N[6]C[6]2){1|C<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]C)(H){2|H<1>,3|C<3>}	121.1880	0.000	1	121.1880	0.000	1	120.2656	0.301	8	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PC[6]C)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PC[6]C){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.5110	0.000	1	118.5110	0.000	1	118.5990	0.015	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PC[6a]2){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	118.6870	0.000	1	118.6870	0.000	1	118.5990	0.015	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SCu2)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SCu2){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	116.7107	0.689	4	116.7107	0.474	4	118.5112	3.735	9	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SIrC)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SIrC){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	120.4825	1.573	2	120.4825	2.475	2	118.5112	3.735	9	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SMo2)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SMo2){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	118.6650	0.000	1	118.6650	0.000	1	118.5112	3.735	9	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SNO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SNO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	120.5110	0.000	1	120.5110	0.000	1	118.5112	3.735	9	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SPtC)	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SPtC){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]S)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	119.6170	0.000	1	119.6170	0.000	1	118.5112	3.735	9	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(H)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]H){1|H<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O){1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(H){1|N<3>,1|O<1>,3|C<3>}	120.1910	0.000	1	120.1910	0.000	1	120.1910	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6,6a]Os)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]H){1|Os<7>,1|N<4>,2|H<1>,3|C<3>}	C[6](C[6,6a]N[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|Os<7>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6,6a]Os)(H){1|H<1>,4|C<3>}	120.2250	0.000	1	120.2250	0.000	1	120.2250	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,6|C<3>}	119.7915	0.704	2	119.7915	0.495	2	119.7915	0.495	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]Ir)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]H){1|Ir<6>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]Ir)(H){1|H<1>,4|C<3>}	119.3105	0.415	2	119.3105	0.172	2	118.4078	0.542	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]Ru)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]H){1|Ru<6>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]Ru)(H){1|H<1>,4|C<3>}	117.8985	0.199	2	117.8985	0.039	2	118.4078	0.542	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]Ru)(H)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]N[6]H){1|Ru<6>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6a,6a]C[6,6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]Ru)(H){1|H<1>,4|C<3>}	118.0145	0.203	2	118.0145	0.041	2	118.4078	0.542	6	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(H){1|O<1>,4|C<3>}	119.5820	0.000	1	119.5820	0.000	1	119.5820	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[5,6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H)(H)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6a]C[6])(H)	C[6](C[6]N[5,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|B<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6a]C[6])(H){1|H<1>,7|C<3>}	116.7770	0.000	1	116.7770	0.000	1	116.7770	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:S-1:	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]S)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(O)	C[6](N[6]C[5,6]C[6a])(C[6]C[6a]C[6])(S)	C[6](C[6]N[5,6]O)(C[6a]C[6a]2)(C[6]N[6]S){1|C<4>,2|H<1>,4|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(O){1|C<4>,1|S<1>,2|C<3>,2|H<1>,2|N<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6a]C[6])(S){1|O<1>,2|N<3>,4|C<3>}	121.7710	0.000	1	121.7710	0.000	1	121.7710	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]H)(H)	C[6](C[6]N[6,6]H)(C[6a]C[6a]2)(C[6]C[6]H){1|B<4>,3|C<3>,3|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,2|F<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6]H)(H){1|H<1>,1|N<3>,3|C<3>}	116.6480	0.000	1	116.6480	0.000	1	116.6480	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	119.6960	0.254	3	119.6960	0.065	3	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)2{1|N<3>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	119.0440	0.000	1	119.0440	0.000	1	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.5365	0.013	2	117.5365	0.000	2	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	118.1660	0.000	1	118.1660	0.000	1	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|I<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	116.9100	0.000	1	116.9100	0.000	1	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Au<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Au<4>,1|H<1>,1|N<3>,4|C<3>}	118.1600	0.000	1	118.6405	0.556	6	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	119.9840	0.000	1	118.6405	0.556	6	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,4|C<3>}	118.7160	0.000	1	118.6405	0.556	6	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	118.3277	0.470	3	118.6405	0.556	6	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	116.4940	0.000	1	116.4940	0.000	1	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	117.5564	0.380	7	117.3602	0.419	11	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	116.2485	0.453	2	117.3602	0.419	11	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	117.7850	0.140	2	117.3602	0.419	11	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|S<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,1|S<2>,3|C<3>}	115.3795	1.620	2	115.3795	2.624	2	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	117.8960	0.000	1	117.8960	0.000	1	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	119.2465	0.023	2	118.4589	0.316	8	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,1|O<2>,3|C<3>}	118.1963	0.334	6	118.4589	0.316	8	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|U<10>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|U<10>,1|H<1>,1|O<2>,3|C<3>}	116.5198	0.828	4	116.9400	1.398	5	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	118.6210	0.000	1	116.9400	1.398	5	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	116.5740	0.000	1	116.5740	0.000	1	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	115.9750	0.000	1	115.9750	0.000	1	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	118.7520	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,4|C<3>}	119.3315	0.592	2	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	119.0753	1.154	7	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	118.7572	0.451	4	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,1|S<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mg<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mg<6>,1|H<1>,1|N<3>,4|C<3>}	118.0310	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<6>,1|H<1>,1|N<3>,4|C<3>}	117.9105	0.660	2	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	118.1280	0.840	2	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ni<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ni<6>,1|H<1>,1|N<3>,4|C<3>}	116.9230	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mg<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mg<5>,1|H<1>,1|N<3>,4|C<3>}	117.9070	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<3>,4|C<3>}	118.4360	1.478	2	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ag<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ag<4>,1|H<1>,1|N<3>,4|C<3>}	116.9005	0.296	2	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Al<5>,1|H<1>,1|N<3>,4|C<3>}	115.9700	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<5>,1|H<1>,1|N<3>,4|C<3>}	116.6252	0.645	6	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<6>,1|H<1>,1|N<3>,4|C<3>}	117.5302	0.355	4	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<4>,1|H<1>,1|N<3>,4|C<3>}	116.9840	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	118.2619	0.473	23	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cr<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cr<6>,1|H<1>,1|N<3>,4|C<3>}	118.6230	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<5>,1|H<1>,1|N<3>,4|C<3>}	118.0519	0.888	10	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<6>,1|H<1>,1|N<3>,4|C<3>}	117.6434	0.657	10	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	118.2004	0.851	14	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Hg<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Hg<5>,1|H<1>,1|N<3>,4|C<3>}	117.1547	0.526	3	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	119.1030	0.838	3	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<5>,1|H<1>,1|N<3>,4|C<3>}	117.8850	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<3>,4|C<3>}	117.2472	0.390	6	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mo<7>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mo<7>,1|H<1>,1|N<3>,4|C<3>}	116.8230	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ni<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ni<6>,1|H<1>,1|N<3>,4|C<3>}	117.4277	2.105	6	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Os<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Os<6>,1|H<1>,1|N<3>,4|C<3>}	117.6720	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pd<4>,1|H<1>,1|N<3>,4|C<3>}	116.7520	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	118.6407	0.997	11	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	118.2500	0.611	4	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Sn<7>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Sn<7>,1|H<1>,1|N<3>,4|C<3>}	117.9270	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<5>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<5>,1|H<1>,1|N<3>,4|C<3>}	117.0462	0.842	30	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<6>,1|H<1>,1|N<3>,4|C<3>}	117.8206	1.203	12	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){2|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){2|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	116.5080	0.000	1	117.8323	1.121	176	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Cd<6>,1|H<1>,5|C<3>}	117.3950	0.564	2	116.6135	1.078	24	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Co<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Co<6>,1|H<1>,5|C<3>}	116.5155	0.037	2	116.6135	1.078	24	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cr<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Cr<6>,1|H<1>,5|C<3>}	116.3530	0.000	1	116.6135	1.078	24	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|H<1>,1|N<3>,1|W<6>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,1|W<6>,5|C<3>}	115.8280	0.649	6	116.6135	1.078	24	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Hg<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Hg<4>,1|H<1>,5|C<3>}	116.0930	0.999	4	116.6135	1.078	24	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	115.9080	0.000	1	116.6135	1.078	24	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mo<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Mo<6>,1|H<1>,5|C<3>}	116.5680	0.000	1	116.6135	1.078	24	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Pt<4>,1|H<1>,5|C<3>}	117.9596	0.868	5	116.6135	1.078	24	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Rh<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Rh<6>,1|H<1>,5|C<3>}	117.0480	0.000	1	116.6135	1.078	24	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Zn<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Zn<4>,1|H<1>,5|C<3>}	115.8890	0.000	1	116.6135	1.078	24	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Cu<4>,1|H<1>,3|C<3>}	116.8173	0.466	12	116.8173	0.218	12	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	116.7745	0.937	2	116.5826	0.612	25	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	116.9885	0.053	2	116.5826	0.612	25	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	116.1480	0.000	1	116.5826	0.612	25	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	116.9488	0.931	8	116.5826	0.612	25	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	116.7455	1.204	2	116.5826	0.612	25	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	115.9813	0.682	6	116.5826	0.612	25	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	116.4808	0.123	4	116.5826	0.612	25	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]P[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]P[6])(H){1|H<1>,1|N<3>,1|W<6>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|H<1>,1|W<6>,5|C<3>}	121.3738	0.581	4	121.3924	0.255	5	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]P[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]P[6])(H){1|Mo<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Mo<6>,1|H<1>,5|C<3>}	121.4670	0.000	1	121.3924	0.255	5	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|O<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,4|C<3>}	116.1030	0.000	1	116.2030	0.378	11	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Cu<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cu<4>,1|H<1>,1|N<3>,4|C<3>}	117.5560	0.000	1	116.2030	0.378	11	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Mn<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<3>,4|C<3>}	116.5210	0.000	1	116.2030	0.378	11	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Pt<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<6>,1|H<1>,1|N<3>,4|C<3>}	116.6215	0.098	2	116.2030	0.378	11	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	115.7744	0.351	5	116.2030	0.378	11	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ru<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|H<1>,1|N<3>,4|C<3>}	115.9380	0.000	1	116.2030	0.378	11	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|F<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Au<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Au<4>,1|H<1>,5|C<3>}	119.9120	0.000	1	117.1914	0.695	34	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Au<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Au<4>,1|H<1>,5|C<3>}	117.5805	0.429	2	117.1914	0.695	34	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	116.6050	0.000	1	117.1914	0.695	34	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,1|N<3>,5|C<3>}	116.0410	0.000	1	117.1914	0.695	34	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|H<1>,6|C<3>}	116.7477	0.572	12	117.1914	0.695	34	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	117.3912	0.377	5	117.1914	0.695	34	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Pt<4>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Pt<4>,1|H<1>,5|C<3>}	116.6370	0.619	2	117.1914	0.695	34	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Pt<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Pt<4>,1|H<1>,5|C<3>}	117.4405	0.730	8	117.1914	0.695	34	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){2|H<1>,5|C<3>}	118.0315	0.054	2	117.1914	0.695	34	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	117.1363	0.474	4	117.0856	1.148	43	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Ir<6>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ir<6>,1|H<1>,3|C<3>}	117.1275	1.121	37	117.0856	1.148	43	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Os<7>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Os<7>,1|H<1>,3|C<3>}	115.6030	0.000	1	117.0856	1.148	43	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Pt<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	116.8160	0.000	1	117.0856	1.148	43	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H){1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	116.5050	0.243	2	116.6774	0.488	8	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H){1|H<1>,5|C<3>}	116.7348	0.810	6	116.6774	0.488	8	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|H<1>,5|C<3>}	119.6520	0.000	1	120.8898	0.449	6	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|H<1>,1|W<6>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|H<1>,1|W<6>,5|C<3>}	121.0037	0.367	3	120.8898	0.449	6	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Ir<8>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Ir<8>,1|H<1>,5|C<3>}	121.3740	0.000	1	120.8898	0.449	6	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Rh<8>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Rh<8>,1|H<1>,5|C<3>}	121.3020	0.000	1	120.8898	0.449	6	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6]C[6a]C[6])(C[6]P[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<1>,1|P<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Au<2>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]P[6]O)(H){1|Au<2>,1|H<1>,3|C<3>}	122.7440	0.000	1	122.2795	0.432	2	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6]C[6a]C[6])(C[6]P[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,1|P<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]P[6]O)(H){1|H<1>,3|C<3>}	121.8150	0.000	1	122.2795	0.432	2	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[5]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[5]N[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<3>,2|H<1>,3|N<3>}	C[6](C[6]C[6a]C[6])(C[6]N[5]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[5]N[6])(H){1|Fe<6>,1|H<1>,1|N<3>,4|C<3>}	119.0015	0.199	2	119.0015	0.039	2	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Zn<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Zn<5>,1|H<1>,3|C<3>}	118.2075	0.754	2	116.1246	3.119	10	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Cu<5>,1|H<1>,3|C<3>}	117.3600	0.000	1	116.1246	3.119	10	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	117.5240	0.000	1	116.1246	3.119	10	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Mo<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Mo<6>,1|H<1>,3|C<3>}	116.0930	0.247	3	116.1246	3.119	10	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|O<1>,3|N<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	113.8893	0.334	3	116.1246	3.119	10	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|F<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	118.7160	0.000	1	117.4120	0.935	8	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	116.0100	0.000	1	117.4120	0.935	8	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	116.4570	0.000	1	117.4120	0.935	8	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Zn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	116.6440	0.000	1	117.4120	0.935	8	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	118.0220	0.000	1	117.4120	0.935	8	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	117.2420	0.000	1	117.4120	0.935	8	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(H){1|Zn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	118.1025	0.148	2	117.4120	0.935	8	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	117.0363	1.053	3	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	116.5337	1.123	75	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cd<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cd<5>,1|H<1>,3|C<3>}	117.2340	0.000	1	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	116.1713	0.760	21	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	115.6790	1.624	4	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	117.0960	0.763	4	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<6>,1|H<1>,3|C<3>}	115.9135	0.742	2	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Fe<6>,1|H<1>,3|C<3>}	115.8392	1.330	4	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	116.9895	0.989	2	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	115.7167	1.064	26	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|S<2>,3|C<3>}	116.7060	0.000	1	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|W<6>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,1|W<6>,3|C<3>}	114.8400	0.000	1	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	117.2506	0.644	8	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Hg<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Hg<4>,1|H<1>,3|C<3>}	112.2640	0.000	1	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|H<1>,3|C<3>}	117.5265	0.353	2	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	116.3703	0.995	12	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ni<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ni<5>,1|H<1>,3|C<3>}	116.4280	0.000	1	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ni<6>,1|H<1>,3|C<3>}	116.2776	0.516	14	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	116.1085	0.417	4	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	117.2995	1.146	2	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<5>,1|H<1>,3|C<3>}	115.1420	1.320	3	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,3|C<3>}	116.9797	0.663	3	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Rh<8>,1|H<1>,3|C<3>}	115.3457	0.897	4	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Sm<12>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Sm<12>,1|H<1>,3|C<3>}	116.6755	0.298	2	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	115.8925	0.773	2	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	116.0169	1.077	7	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	116.7700	0.137	2	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	117.3472	0.768	93	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	112.1890	0.168	3	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	118.5060	0.000	1	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	118.0360	0.000	1	116.5970	1.418	309	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	116.0070	0.000	1	114.7615	3.103	2	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|O<2>,2|C<4>,2|N<3>,2|O<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]C)(H){1|H<1>,3|C<3>}	113.5160	0.000	1	114.7615	3.103	2	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]P[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]P[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|P<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]P[6]C)(H){1|Mn<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]P[6]C)(H){1|Mn<5>,1|H<1>,3|C<3>}	121.4320	0.000	1	121.4320	0.000	1	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|Re<6>,1|H<1>,1|N<2>,1|N<3>,1|S<2>,2|C<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6a]C[6])(H){1|Re<6>,1|H<1>,1|S<2>,2|C<3>,2|N<2>}	116.6590	0.000	1	116.6590	0.000	1	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Cd<5>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	117.3260	0.000	1	118.7687	1.564	3	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Pt<4>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	119.4900	0.072	2	118.7687	1.564	3	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Mn<6>,1|H<1>,1|N<2>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|Mn<6>,1|H<1>,1|N<2>,4|C<3>}	117.1970	0.170	2	117.1970	0.029	2	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[5]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[5]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|H<1>,2|C<3>,3|N<3>}	C[6](C[6]C[6a]C[6])(C[6]N[5]N[6])(H){1|Ru<6>,1|H<1>,1|N<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[5]N[6])(H){1|Ru<6>,1|H<1>,1|N<2>,4|C<3>}	117.9185	0.501	2	117.9185	0.251	2	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	118.0995	0.223	2	117.4066	1.149	45	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	117.3682	0.241	6	117.4066	1.149	45	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,1|N<2>,2|C<3>}	116.0036	2.042	5	117.4066	1.149	45	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<6>,1|H<1>,1|N<2>,2|C<3>}	117.3430	0.000	1	117.4066	1.149	45	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	118.0995	0.572	20	117.4066	1.149	45	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|H<1>,1|N<2>,2|C<3>}	116.4407	0.407	3	117.4066	1.149	45	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,1|N<2>,2|C<3>}	116.8055	0.090	2	117.4066	1.149	45	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,1|N<2>,2|C<3>}	116.8195	0.426	4	117.4066	1.149	45	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,1|N<2>,2|C<3>}	116.6630	0.126	2	117.4066	1.149	45	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	118.5742	0.778	6	118.7818	1.105	96	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,2|N<2>}	119.2666	0.962	49	118.7818	1.105	96	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>,2|N<2>}	117.7694	1.228	9	118.7818	1.105	96	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>,2|N<2>}	117.7990	0.000	1	118.7818	1.105	96	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>,2|N<2>}	118.9504	0.836	7	118.7818	1.105	96	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<2>}	118.0110	0.000	1	118.7818	1.105	96	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>,2|N<2>}	117.7871	0.659	12	118.7818	1.105	96	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	118.9171	0.232	8	118.7818	1.105	96	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>,2|N<2>}	118.0750	0.000	1	118.7818	1.105	96	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>,2|N<2>}	118.1530	0.221	2	118.7818	1.105	96	117.3249	2.014	871	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6])2(O){2|H<1>,5|C<3>}	120.6025	0.339	2	120.6025	0.115	2	120.0827	1.343	31	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	119.7540	0.000	1	119.7540	0.000	1	120.0827	1.343	31	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])2(O){2|H<1>,5|C<3>}	119.8590	0.000	1	119.8590	0.000	1	120.0827	1.343	31	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]F)(H)	C[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|F<1>,1|H<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]F)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])2(O){2|H<1>,5|C<3>}	119.0260	0.088	2	119.0260	0.008	2	120.0827	1.343	31	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	119.5130	0.000	1	119.5130	0.000	1	120.0827	1.343	31	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	118.0103	0.651	3	118.0103	0.424	3	120.0827	1.343	31	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])2(O){2|H<1>,5|C<3>}	118.3995	0.762	2	118.3995	0.580	2	120.0827	1.343	31	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]C[6])2(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6])2(O){2|H<1>,5|C<3>}	120.9114	0.398	17	120.9114	0.158	17	120.0827	1.343	31	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|H<1>,3|C<3>}	118.9290	0.255	2	118.9290	0.065	2	120.0827	1.343	31	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pt)(H)	C[6](C[6a]C[6a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Pt)(H){2|H<1>,3|C<3>}	117.2621	0.811	7	117.2621	0.658	7	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Cd)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cd<6>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Cd)(H){1|H<1>,4|C<3>}	117.4310	0.000	1	117.4310	0.000	1	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Co)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<4>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Co)(H){1|H<1>,4|C<3>}	116.8345	0.533	6	116.9791	0.386	9	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Co)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Co)(H){1|H<1>,4|C<3>}	117.6945	0.450	2	116.9791	0.386	9	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Co)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Co)(H){1|H<1>,4|C<3>}	116.4160	0.000	1	116.9791	0.386	9	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Cu)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Cu)(H){1|H<1>,4|C<3>}	116.5939	0.981	9	116.5939	0.962	9	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Fe)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|C<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Fe)(H){1|H<1>,4|C<3>}	118.1710	0.000	1	117.4893	0.373	3	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Fe)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Fe<6>,1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Fe)(H){2|H<1>,3|C<3>}	117.1485	0.220	2	117.4893	0.373	3	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	116.4490	0.000	1	116.1958	0.520	9	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	115.5955	1.271	2	116.1958	0.520	9	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){2|H<1>,3|C<3>}	116.3537	0.568	6	116.1958	0.520	9	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Ir)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Ir)(H){1|H<1>,4|C<3>}	116.0690	0.339	6	116.4949	0.339	11	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Ir)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Ir)(H){1|H<1>,4|C<3>}	117.1437	0.324	3	116.4949	0.339	11	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Ir)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ir<8>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Ir)(H){1|H<1>,1|N<2>,3|C<3>}	116.7995	0.254	2	116.4949	0.339	11	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Mn)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Mn)(H){1|C<4>,1|H<1>,3|C<3>}	117.6540	0.830	2	117.2074	0.430	5	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Mn)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Mn)(H){1|H<1>,4|C<3>}	117.2930	0.000	1	117.2074	0.430	5	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Mn)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Mn)(H){1|H<1>,4|C<3>}	116.9860	0.000	1	117.2074	0.430	5	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Mn)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Mn)(H){1|H<1>,4|C<3>}	116.4500	0.000	1	117.2074	0.430	5	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Ni)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Ni)(H){1|H<1>,4|C<3>}	117.4450	0.000	1	117.0663	0.051	6	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Ni)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Ni)(H){1|C<4>,1|H<1>,3|C<3>}	116.9875	0.164	4	117.0663	0.051	6	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Ni)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Ni)(H){1|H<1>,4|C<3>}	117.0030	0.000	1	117.0663	0.051	6	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(H){1|H<1>,4|C<3>}	116.1345	1.030	2	116.1019	0.538	8	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(H){2|H<1>,3|C<3>}	116.0910	0.736	6	116.1019	0.538	8	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pt)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Pt)(H){1|H<1>,4|C<3>}	116.9168	0.524	6	116.7071	0.460	8	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pt)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Pt<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Pt)(H){2|H<1>,3|C<3>}	116.0780	0.887	2	116.7071	0.460	8	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Re)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Re<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Re)(H){1|H<1>,4|C<3>}	115.7440	0.000	1	115.7440	0.000	1	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Ru)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ru<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Ru)(H){1|H<1>,4|C<3>}	117.2615	0.332	4	117.2615	0.110	4	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Zn)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Zn<6>,1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Zn)(H){2|H<1>,3|C<3>}	116.7970	0.000	1	116.7970	0.000	1	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Co)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Co<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Co)(H){1|N<2>,2|C<3>,2|H<1>}	117.1370	0.000	1	117.1370	0.000	1	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Cu)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Cu)(H){1|N<2>,2|C<3>,2|H<1>}	117.5890	0.000	1	117.5890	0.000	1	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	116.8090	0.000	1	117.2985	0.379	4	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|N<2>,2|C<3>,2|H<1>}	117.4617	0.639	3	117.2985	0.379	4	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Mn)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Mn)(H){1|N<2>,2|C<3>,2|H<1>}	117.5580	0.000	1	117.5580	0.000	1	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pt)(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]H)(C[6]N[6]H){1|Pt<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Pt)(H){1|H<1>,1|N<2>,3|C<3>}	116.6830	0.000	1	116.6830	0.000	1	116.7861	0.576	90	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(O){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|C<2>,1|O<1>,3|C<3>}	118.8650	0.000	1	118.8650	0.000	1	118.9197	0.374	3	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|Br<1>,1|O<1>,3|C<3>}	118.3370	0.000	1	118.9470	0.744	2	118.9197	0.374	3	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(H){1|O<1>,1|O<2>,3|C<3>}	119.5570	0.000	1	118.9470	0.744	2	118.9197	0.374	3	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])2(H){1|H<1>,2|N<3>,4|C<3>}	115.9850	0.349	2	115.9850	0.122	2	117.8254	1.871	20	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Ni)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Ni)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	116.0645	0.636	4	116.0645	0.405	4	117.8254	1.871	20	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){2|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(H){2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])2(H){1|N<3>,2|H<1>,4|C<3>}	118.0345	0.086	2	118.0345	0.007	2	117.8254	1.871	20	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Re)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Re)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	118.7383	0.432	6	118.7383	0.187	6	117.8254	1.871	20	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]N[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Ru)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6a]N[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Ru<9>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Ru)(H){1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,2|N<2>}	118.6302	1.012	6	118.6302	1.023	6	117.8254	1.871	20	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6](C[6]C[6a]C[6])(N[6]C[6a]P[6])(H)	C[6](C[6]C[6a]C[6])(N[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|P<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]P[6])(H){1|H<1>,1|I<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]P[6])(H){1|H<1>,1|I<1>,1|N<3>,4|C<3>}	118.2710	0.000	1	118.2710	0.000	1	118.2710	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]O)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|C<4>,1|N<3>,2|C<3>,2|H<1>}	118.0700	0.000	1	118.0700	0.000	1	118.0700	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]S)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(S)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]S){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|N<3>,1|S<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(S){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	116.8060	0.000	1	116.8060	0.000	1	116.8060	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|H<1>,1|N<3>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	120.5480	0.423	3	121.1138	0.695	5	120.6223	0.512	12	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{2|C<4>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|N<3>,2|C<3>,2|O<1>}	121.9625	0.142	2	121.1138	0.695	5	120.6223	0.512	12	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	120.2127	0.461	4	120.2711	0.130	7	120.6223	0.512	12	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]N[6]O)2	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]N[6]O)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(O){1|N<3>,2|C<3>,2|O<1>}	120.3490	0.237	3	120.2711	0.130	7	120.6223	0.512	12	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H)	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|As<2>,2|H<1>,4|C<3>}	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H){1|H<1>,1|N<3>,4|C<3>}	121.1520	0.000	1	120.6950	0.418	2	123.1307	1.795	10	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H)	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|As<3>,2|H<1>,4|C<3>}	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H){1|As<2>,1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]As[6]C[6a])(C[6]C[6a]C[6])(H){1|As<2>,1|H<1>,1|N<3>,4|C<3>}	120.2380	0.000	1	120.6950	0.418	2	123.1307	1.795	10	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6](N[6]C[6a]Ga[6])(C[6]C[6a]C[6])(H)	C[6](N[6]C[6a]Ga[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|Ga<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6a]C[6])(H){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]Ga[6])(C[6]C[6a]C[6])(H){2|Cl<1>,1|H<1>,1|N<3>,4|C<3>}	123.1150	0.000	1	123.1150	0.000	1	123.1307	1.795	10	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|In<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|Cl<1>,1|H<1>,1|N<3>,1|S<2>,4|C<3>}	123.9155	0.110	2	123.7825	0.073	6	123.1307	1.795	10	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|In<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|Cl<1>,1|In<4>,1|H<1>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|Cl<1>,1|In<4>,1|H<1>,1|N<3>,4|C<3>}	123.6730	0.374	3	123.7825	0.073	6	123.1307	1.795	10	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|In<4>,2|H<1>,4|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,2|N<3>,4|C<3>}	C[6](N[6]C[6a]In[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,2|N<3>,4|C<3>}	123.8450	0.000	1	123.7825	0.073	6	123.1307	1.795	10	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]N[6]H)2	C[6](N[6]In[4,6]C[6a])(C[6]C[6a]C[6])(H)	C[6](N[6]In[4,6]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]N[6]H)2{1|In<5>,2|H<1>,4|C<3>}	C[6](N[6]In[4,6]C[6a])(C[6]C[6a]C[6])(H){1|Cl<1>,1|H<1>,1|N<3>,2|O<3>,4|C<3>}	C[6](N[6]In[4,6]C[6a])(C[6]C[6a]C[6])(H){1|Cl<1>,1|H<1>,1|N<3>,2|O<3>,4|C<3>}	124.1070	0.000	1	124.1070	0.000	1	123.1307	1.795	10	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](NC[6a]C[6])(C[6]C[6]H)2	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](NC[6a]C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	116.9035	0.163	2	116.9035	0.027	2	116.9035	0.027	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](N[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O)	C[6](N[5]C[5]N[5])(C[6]C[6]H)(C[6]C[6]O){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O){1|N<2>,2|C<3>,2|H<1>}	125.3760	0.000	1	125.3760	0.000	1	125.3760	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Cd<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Cd<4>,1|H<1>,3|C<3>}	122.0550	0.000	1	120.1517	4.805	3	120.2856	2.524	5	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|N<2>}	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Cd<6>,1|H<1>,3|C<3>}	120.6450	0.000	1	120.1517	4.805	3	120.2856	2.524	5	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a]2)(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	117.7550	0.000	1	120.1517	4.805	3	120.2856	2.524	5	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)2{1|C<3>,1|N<2>,1|N<3>,3|H<1>}	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Ru<9>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]N[5a]C[6])(C[6]N[6]H)(H){1|Ru<9>,1|H<1>,1|N<2>,2|C<3>}	120.4865	0.593	2	120.4865	0.352	2	120.2856	2.524	5	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|N<2>,2|C<3>,3|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O){1|N<2>,2|C<3>,2|H<1>}	122.3810	0.000	1	122.3810	0.000	1	122.3810	0.000	1	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6])(N[6]C[6]Re)(H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Re<6>,1|H<1>,5|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[5a]C[6])(N[6]C[6]Re)(H){1|H<1>,4|C<3>}	118.4840	0.406	2	118.4840	0.165	2	119.0812	0.562	4	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[5a]C[6])(N[6]C[6]Mn)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]N[6]H){1|Mn<6>,1|C<3>,2|N<2>,3|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[5a]C[6])(N[6]C[6]Mn)(H){2|H<1>,3|C<3>}	119.6785	0.306	2	119.6785	0.094	2	119.0812	0.562	4	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O)	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	119.7940	0.000	1	119.7940	0.000	1	120.3717	0.284	3	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]Ru)(O)	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]H)(C[6]C[6]O){1|Ru<6>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]Ru)(O){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]O)(H){1|N<2>,1|N<3>,1|O<1>,2|C<3>}	120.6605	0.258	2	120.6605	0.067	2	120.3717	0.284	3	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]N[5a]C[6])(N[6]C[6]Cu)(H)	C[6](C[6]N[5a]C[6])2(H)	C[6](N[5a]C[5a,6a]2)(C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|N<3>,5|C<3>}	C[6](C[6]N[5a]C[6])(N[6]C[6]Cu)(H){2|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])2(H){1|N<3>,2|H<1>,4|C<3>}	118.7703	0.841	7	118.7703	0.708	7	118.7703	0.708	7	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](N[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]N[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6]N[6a]C[6])(C[6]N[6]H)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|H<1>,2|O<1>}	C[6](C[6]N[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	C[6](C[6]N[6a]C[6])(C[6]N[6]H)(H){2|H<1>,3|C<3>}	120.8386	0.743	5	120.8386	0.552	5	120.8386	0.552	5	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	N[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](N[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]N[6a]C[6])(N[6]C[6]B)(H)	C[6](N[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]H){1|B<4>,1|H<1>,2|O<1>,3|C<3>}	C[6](C[6]N[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]N[6a]C[6])(N[6]C[6]B)(H){2|H<1>,3|C<3>}	120.0570	0.266	12	120.0570	0.071	12	120.0570	0.071	12	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:1:	P-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]C[6])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](PC[6a]C[6])(C[6]C[6]H)2{1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<2>}	118.0125	0.282	2	118.0125	0.080	2	118.0125	0.080	2	118.6566	7.097	6949	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(CHN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(OCu)	C[6](C[6]C[6,6a]H)(C[6]N[6]O)(CHN){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(OCu){1|H<1>,2|C<3>}	118.9410	0.000	1	118.9410	0.000	1	118.9410	0.000	1	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	119.4180	0.000	1	119.4180	0.000	1	119.4180	0.000	1	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,2|H<1>}	118.5620	0.000	1	118.5620	0.000	1	117.3147	1.922	3	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(NV)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)2(NV){1|C<3>,2|H<1>}	116.6910	1.229	2	116.6910	1.510	2	117.3147	1.922	3	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCO){1|Br<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>}	119.1710	0.000	1	119.1710	0.000	1	117.1623	3.769	4	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,1|C<4>,1|P<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<3>,2|H<1>}	117.4865	0.008	2	117.4865	0.000	2	117.1623	3.769	4	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OH){1|C<3>,2|H<1>}	114.5050	0.000	1	114.5050	0.000	1	117.1623	3.769	4	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo){1|C<3>,2|H<1>}	118.7825	0.770	2	118.7825	0.593	2	118.8272	0.267	5	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(ONi)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(ONi){1|C<3>,2|H<1>}	119.3130	0.000	1	119.3130	0.000	1	118.8272	0.267	5	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(OZn)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OZn){1|C<3>,2|H<1>}	118.6290	0.393	2	118.6290	0.155	2	118.8272	0.267	5	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SMn)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SMn){1|C<3>,2|H<1>}	119.3500	0.153	2	119.3500	0.023	2	119.3550	0.012	3	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SS)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SS){1|C<3>,2|H<1>}	119.3650	0.000	1	119.3650	0.000	1	119.3550	0.012	3	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]C)(ORe)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|Re<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(ORe){1|C<3>,2|H<1>}	120.7290	0.570	2	120.7290	0.325	2	120.0870	1.011	4	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]C)(ORh)	C[6](C[6]C[6]H)(C[6]N[6]O)(COO){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>}	C[6](N[6]C[6]Rh)(C[6]C[6]C)(ORh){1|C<3>,2|H<1>}	119.4450	1.030	2	119.4450	1.060	2	120.0870	1.011	4	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Mo)(C[6]C[6]C)(SMo)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Mo)(C[6]C[6]C)(SMo){1|C<3>,2|H<1>}	117.8620	0.284	2	117.8620	0.081	2	117.8620	0.081	2	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)2(OZn)	C[6](C[6]C[6]O)(C[6]N[6]H)(COO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OZn){1|N<3>,2|H<1>}	119.4460	0.000	1	119.4460	0.000	1	119.4460	0.000	1	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|N<3>,2|C<3>,2|H<1>}	119.2135	0.071	2	119.2135	0.005	2	118.6325	0.493	10	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	119.0523	0.408	3	119.0523	0.166	3	118.6325	0.493	10	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn){1|H<1>,2|C<3>,2|N<3>}	117.4970	0.000	1	118.3057	0.716	3	118.6325	0.493	10	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn){1|N<3>,2|C<3>,2|H<1>}	118.7100	0.672	2	118.3057	0.716	3	118.6325	0.493	10	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSn)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OSn){1|N<3>,2|C<3>,2|H<1>}	118.1400	0.000	1	118.1400	0.000	1	118.6325	0.493	10	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6,6a]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn){1|H<1>,2|C<3>,2|N<3>}	117.6840	0.000	1	117.6840	0.000	1	118.6325	0.493	10	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OCo)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O){1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OCo){1|O<1>,4|C<3>}	121.3880	0.000	1	121.2483	0.232	3	121.2483	0.232	3	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OCo)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O){1|O<2>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OCo){1|O<1>,4|C<3>}	121.1785	0.660	2	121.2483	0.232	3	121.2483	0.232	3	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]S)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|S<1>,2|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]S)(CN){1|C<3>,2|H<1>}	118.9755	0.605	2	118.9755	0.366	2	118.9755	0.366	2	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(NCH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NO){1|C<3>,2|H<1>}	120.1860	0.000	1	120.1860	0.000	1	119.3590	1.368	2	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(NH)	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NH){1|C<3>,2|H<1>}	118.5320	0.000	1	118.5320	0.000	1	119.3590	1.368	2	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(NBaO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(OBa)	C[6](C[6]C[6]O)2(NBaO){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)2(OBa){1|C<3>,2|O<1>}	120.8620	0.000	1	120.8620	0.000	1	121.7787	11.050	3	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]N)2(OH)	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)2(OH){1|C<3>,2|O<1>}	122.2370	4.565	2	122.2370	20.840	2	121.7787	11.050	3	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|N<3>,2|H<1>}	117.9290	0.000	1	117.9290	0.000	1	119.5595	5.317	2	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|N<3>,2|H<1>}	121.1900	0.000	1	121.1900	0.000	1	119.5595	5.317	2	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:N[5]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(N[5]C[5]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N[5])(SC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(N[5]C[5]2){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N[5])(O){1|H<1>,1|S<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N[5])(SC[6a]){1|O<1>,2|C<3>,2|C<4>}	115.8560	0.000	1	115.8560	0.000	1	115.8560	0.000	1	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:P-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(PCC)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6])	C[6](C[6]C[6]H)(C[6]C[6]N)(PCC){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]){1|C<3>,2|H<1>}	119.3620	0.612	2	119.3620	0.375	2	119.3620	0.375	2	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6]O)(OC)	C[6](C[6]C[6,6]O)(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6]O)(OC){1|O<1>,4|C<3>}	119.1730	0.000	1	119.1730	0.000	1	119.1730	0.000	1	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(OH)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,1|O<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,1|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(OH){1|O<1>,4|C<3>}	119.3290	0.000	1	119.3290	0.000	1	119.3290	0.000	1	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5]N[6])(H){1|C<2>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){1|H<1>,1|N<3>,3|C<3>}	118.3895	0.494	2	118.3895	0.244	2	118.3895	0.244	2	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N)	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(N[6]C[6,6]H)(NS)	C[6](C[6a]C[6a]2)(C[6]N[6]H)(C[6]N[6]N){2|C<3>,2|C<4>,3|H<1>}	C[6](N[6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>,4|C<4>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6]H)(NS){1|H<1>,1|N<3>,2|C<3>,2|C<4>}	116.4450	0.000	1	116.4450	0.000	1	116.4450	0.000	1	118.9661	2.686	54	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|O<1>,2|C<3>}	119.5090	0.000	1	119.5090	0.000	1	119.5090	0.000	1	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]Co)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	117.6850	1.792	2	117.6850	3.211	2	117.8454	2.027	7	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	118.9750	0.000	1	118.9750	0.000	1	117.8454	2.027	7	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]H)(C[6]N[6]C)(COO){1|Zn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(COO){1|H<1>,2|C<3>}	117.6432	1.577	4	117.6432	2.488	4	117.8454	2.027	7	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]Ru)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]Ru)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]Ru){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]Ru){1|O<1>,2|C<3>}	120.6780	0.303	4	120.6780	0.092	4	120.6780	0.092	4	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<9>,1|N<3>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|Ru<9>,1|C<3>,1|H<1>}	118.9360	0.000	1	118.9360	0.000	1	118.9360	0.000	1	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(NFeC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NFeC){1|C<3>,2|H<1>}	118.5360	0.000	1	118.5360	0.000	1	118.8260	0.168	2	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(NTiC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(NTiC){1|C<3>,2|H<1>}	119.1160	0.000	1	119.1160	0.000	1	118.8260	0.168	2	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	117.6970	0.000	1	117.6970	0.000	1	117.6265	0.922	11	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	117.4620	0.631	3	117.4620	0.398	3	117.6265	0.922	11	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	117.0095	0.459	2	116.9040	0.139	3	117.6265	0.922	11	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	116.6930	0.000	1	116.9040	0.139	3	117.6265	0.922	11	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	117.9080	0.025	2	117.9080	0.001	2	117.6265	0.922	11	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	120.1030	0.000	1	120.1030	0.000	1	117.6265	0.922	11	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(COO){1|C<3>,2|H<1>}	117.1770	0.000	1	117.1770	0.000	1	117.6265	0.922	11	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H){1|N<3>,2|H<1>}	118.3683	0.250	4	118.3683	0.063	4	118.3683	0.063	4	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:N[5]-3:C[6]-3:	C[6](C[6]C[5a,6]2)(C[6]C[6,6a]H)(C[6]N[5]N[6])	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H)	C[6](N[6]C[6,6a]Ru)(N[5]C[5]N[5])(C[6]C[6]2)	C[6](C[6]C[5a,6]2)(C[6]C[6,6a]H)(C[6]N[5]N[6]){1|Ru<9>,3|N<3>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(H){1|H<1>,2|N<3>,4|C<3>}	C[6](N[6]C[6,6a]Ru)(N[5]C[5]N[5])(C[6]C[6]2){2|H<1>,6|C<3>}	117.3850	0.566	2	117.3850	0.320	2	117.3850	0.320	2	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(COO)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(COO){1|O<1>,4|C<3>}	121.5055	0.554	2	121.5055	0.307	2	121.5055	0.307	2	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2{1|C<4>,2|O<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,6|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)2{1|C<4>,2|O<1>,6|C<3>}	121.1435	0.117	2	121.1435	0.014	2	121.1435	0.014	2	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,3|C<3>}	121.8405	0.138	2	121.8405	0.019	2	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{3|C<3>,4|H<1>}	121.8670	2.820	2	121.8670	7.952	2	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{2|H<1>,2|N<3>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{2|H<1>,2|N<3>,3|C<3>}	122.0795	0.411	6	122.0795	0.169	6	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	123.9605	0.401	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.4780	0.725	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|B<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.2710	0.902	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.5789	0.954	231	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cd<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	122.0630	0.341	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.3195	1.856	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.7551	0.667	10	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Co<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	122.1520	1.063	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cu<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	122.0340	0.283	10	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Cu<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.9248	0.549	4	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ga<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.7270	0.359	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	122.0264	0.530	72	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.6530	0.425	4	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Mn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	122.1960	0.164	4	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Mo<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	122.2115	0.661	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ni<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.8275	0.520	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.8120	0.417	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.5035	1.607	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.2355	1.729	4	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Sn<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	122.1790	1.008	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Ti<12>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	122.0785	0.456	4	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	122.1065	1.019	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<5>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.4872	0.956	6	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Zn<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	121.6475	0.941	2	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|Os<7>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	122.5630	0.000	1	121.7219	0.772	378	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]2)(H){1|Cr<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<3>}	120.1820	0.004	2	120.1820	0.000	2	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]2)(H){1|Os<7>,1|H<1>,5|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	121.9700	0.000	1	121.9700	0.000	1	121.7215	0.783	391	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]2)(C[6]C[6]O)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]2)(C[6]C[6]O)2{2|O<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(O){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)2{2|O<1>,2|O<2>,3|C<3>}	119.8050	0.000	1	119.8050	0.000	1	119.8050	0.000	1	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|O<1>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O){1|C<4>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CHH){1|C<3>,1|N<3>,1|O<1>}	123.2070	0.000	1	123.2070	0.000	1	123.2070	0.000	1	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6]H)(C[6]N[6]N)(NOO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H)	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6]H)(C[6]N[6]N)(NOO){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|N<3>}	C[6](N[6]C[6,6]C)(C[6]C[6]N)(NCH){1|C<3>,1|O<2>,2|H<1>}	120.2500	0.000	2	120.2500	0.000	2	120.2500	0.000	2	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(NCH){1|O<1>,2|C<3>}	120.5457	1.416	6	120.5457	2.005	6	120.5457	2.005	6	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	117.8461	0.479	8	117.8461	0.230	8	117.8461	0.230	8	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]N)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(NHH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]N)(CHN){1|C<3>,2|H<1>}	116.9790	0.000	1	116.9790	0.000	1	116.9790	0.000	1	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	120.8360	0.000	1	120.8360	0.000	1	120.8675	0.140	4	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]N)2(CCO){1|C<3>,1|H<1>,1|O<1>}	121.3950	0.000	1	121.3950	0.000	1	120.8675	0.140	4	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(CHO)	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]N)2(CHO){1|C<3>,1|H<1>,1|O<1>}	120.6195	0.138	2	120.6195	0.019	2	120.8675	0.140	4	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	117.9065	0.573	8	117.9065	0.328	8	117.8155	0.379	11	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(NOO){1|N<3>,2|H<1>}	117.1495	0.416	2	117.1495	0.173	2	117.8155	0.379	11	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(NZnC)	C[6](C[6]C[6]N)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC)	C[6](C[6]C[6]N)(C[6]N[6]H)(NZnC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC){1|N<3>,2|H<1>}	118.4200	0.000	1	118.4200	0.000	1	117.8155	0.379	11	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:S-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(SFe2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(SFe2)	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(SFe2){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]S)(O){1|H<1>,1|S<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(SFe2){1|O<1>,2|C<3>}	122.5460	0.000	1	122.5460	0.000	1	122.5460	0.000	1	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CC[6a]O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CC[6a]O){1|O<1>,4|C<3>}	119.8590	0.000	1	119.8590	0.000	1	119.8590	0.000	1	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:S-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(S)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH)	C[6](C[6]C[6,6a]S)(C[6a]C[6a]2)(C[6]N[6]N){3|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(S){1|H<1>,2|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(NCH){1|S<1>,4|C<3>}	119.2505	0.076	2	119.2505	0.006	2	119.2505	0.006	2	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]H){3|C<3>,3|H<1>}	122.6120	0.000	1	122.6120	0.000	1	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	122.7230	0.000	1	122.7230	0.000	1	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){2|H<1>,4|C<3>}	126.7400	0.000	1	123.7700	1.537	20	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	124.2510	0.000	1	123.7700	1.537	20	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	123.5635	1.102	17	123.7700	1.537	20	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Co<8>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8310	0.000	1	123.7700	1.537	20	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){3|C<3>,3|H<1>}	125.5520	0.000	1	125.5520	0.000	1	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){2|H<1>,4|C<3>}	122.6490	0.000	1	123.5350	0.401	7	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3913	0.641	3	123.5350	0.401	7	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Cu<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9740	0.279	3	123.5350	0.401	7	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8040	0.000	1	124.0835	0.631	13	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	124.3710	0.000	1	124.0835	0.631	13	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0828	0.861	11	124.0835	0.631	13	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Br<1>,1|Ir<6>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	124.2570	0.000	1	123.5528	0.240	5	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3768	0.336	4	123.5528	0.240	5	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mg<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mg)(C[6]C[6]H){3|C<3>,3|H<1>}	122.9150	0.000	1	122.9150	0.000	1	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){3|C<3>,3|H<1>}	122.7855	0.370	4	122.7855	0.137	4	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mo<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0640	0.000	1	123.0640	0.000	1	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	123.0680	0.000	1	123.6011	1.763	17	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){2|H<1>,4|C<3>}	127.9330	0.000	1	123.6011	1.763	17	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	123.7290	0.575	4	123.6011	1.763	17	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1308	0.798	10	123.6011	1.763	17	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	123.9940	0.000	1	123.6011	1.763	17	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1990	0.000	1	124.1990	0.000	1	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){3|C<3>,3|H<1>}	123.1965	0.006	2	123.1965	0.000	2	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){2|H<1>,4|C<3>}	123.2560	0.000	1	123.2560	0.000	1	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|B<3>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.5890	0.000	1	124.0038	0.340	6	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	124.2870	0.000	1	124.0038	0.340	6	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	123.8650	0.000	1	124.0038	0.340	6	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){3|C<3>,3|H<1>}	124.0940	0.837	3	124.0038	0.340	6	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){3|C<3>,3|H<1>}	124.6100	0.000	1	124.6100	0.000	1	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Re<6>,1|H<1>,1|N<3>,4|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){2|H<1>,4|C<3>}	122.6990	0.000	1	122.6990	0.000	1	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Rh)(C[6]C[6]H){3|C<3>,3|H<1>}	122.6360	0.000	1	122.6360	0.000	1	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){2|H<1>,4|C<3>}	123.1690	0.185	2	123.1690	0.034	2	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	124.1900	0.588	11	124.1977	0.315	12	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<9>,1|F<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){3|C<3>,3|H<1>}	124.2830	0.000	1	124.1977	0.315	12	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Sb)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sb)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Sb)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Sb<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Sb)(C[6]C[6]H){3|C<3>,3|H<1>}	123.0350	0.000	1	123.0350	0.000	1	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ti)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ti)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ti)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ti<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ti)(C[6]C[6]H){3|C<3>,3|H<1>}	123.3870	0.000	1	123.3870	0.000	1	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	123.4973	0.392	6	123.1653	0.305	12	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){3|C<3>,3|H<1>}	122.8333	0.504	6	123.1653	0.305	12	123.6532	0.914	112	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-3:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(NCN)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|Pd<4>,1|H<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Pd)(NCN){2|H<1>,3|C<3>}	115.5820	0.129	3	115.5820	0.017	3	115.5820	0.017	3	121.7018	2.990	580	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:P-4:	C[6](C[6]C[6]H)(C[6]C[6]P)(CC[6a]Pd)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(PPdCC)	C[6](C[6]C[6]H)(C[6]C[6]P)(CC[6a]Pd){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|B<4>,1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(PPdCC){1|B<4>,1|C<3>,2|H<1>}	114.3620	0.000	1	114.3620	0.000	1	114.3620	0.000	1	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:P-4:	C[6](C[6]C[6]H)(C[6]N[6]P)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]N[6]P)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(PO3){1|C<3>,2|H<1>}	119.7335	0.172	2	119.7335	0.030	2	119.7335	0.030	2	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]N[6]S)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]H)(SO3){1|C<3>,2|H<1>}	118.7660	0.000	2	118.7660	0.000	2	118.7660	0.000	2	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	119.3390	0.000	1	119.3390	0.000	1	118.9247	0.566	3	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	119.3790	0.000	1	119.3790	0.000	1	118.9247	0.566	3	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	118.0560	0.000	1	118.0560	0.000	1	118.9247	0.566	3	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH){1|O<1>,4|C<3>}	121.4870	0.076	2	121.4870	0.006	2	120.6040	0.580	6	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,6|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CH3){1|O<1>,4|C<3>}	120.1625	0.429	4	120.1625	0.184	4	120.6040	0.580	6	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,1|O<1>}	122.3260	0.000	1	122.3260	0.000	1	122.3260	0.000	1	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH){1|O<1>,2|C<3>}	120.9760	0.000	1	120.9760	0.000	1	120.9760	0.000	1	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NH3){1|C<3>,2|H<1>}	116.0936	0.211	5	116.0936	0.044	5	116.0936	0.044	5	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO){1|C<3>,2|H<1>}	115.9775	0.158	2	115.9775	0.025	2	116.2938	0.157	4	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]N)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	116.6100	0.214	2	116.6100	0.046	2	116.2938	0.157	4	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|C<4>}	C[6](C[6]C[6]N)2(CH3){1|C<3>,1|C<4>,1|O<1>}	125.4480	0.000	1	125.4480	0.000	1	125.4480	0.000	1	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3){2|H<1>,3|C<3>}	122.9480	0.000	1	122.9480	0.000	1	122.9480	0.000	1	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(CF3)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|Cl<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6a]C[6])(O){1|C<4>,1|N<3>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(CF3){1|N<3>,1|O<1>,3|C<3>}	120.0630	0.000	1	120.0630	0.000	1	120.0630	0.000	1	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:3:4:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH){1|O<1>,4|C<3>}	119.7632	0.749	5	119.7632	0.562	5	119.7632	0.562	5	119.0297	6.024	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(N[5]C[5]2){1|C<3>,1|O<1>,1|O<2>,2|C<4>,4|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){1|Br<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]N[5])(C[6]C[6]HH)(Br){1|C<4>,2|H<1>,3|C<3>}	118.0460	0.000	1	118.0460	0.000	1	118.0460	0.000	1	118.5190	0.447	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){2|H<1>,3|C<3>}	118.9920	0.000	1	118.9920	0.000	1	118.9920	0.000	1	118.5190	0.447	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	3:4:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:Si-4:	C[6](C[6a]C[6a]2)(C[6]C[6]Si)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SiC3)	C[6](C[6a]C[6a]2)(C[6]C[6]Si)(C[6]C[6]H){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])2(H){1|Si<4>,1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(SiC3){2|H<1>,4|C<3>}	120.7900	0.000	1	120.7900	0.000	1	120.7900	0.000	1	120.7900	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CNO)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CNO){1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	118.0400	0.000	1	118.0400	0.000	1	118.0400	0.000	1	119.0209	8.835	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	N[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]N[6,6]H)(C[6]C[6]O)(CCO)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]N[6,6]H)(C[6]C[6]O)(CCO){2|C<4>,2|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|H<1>}	118.3150	0.020	2	118.3150	0.000	2	118.3150	0.000	2	119.0209	8.835	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]N[6]ZrH)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NCC){1|Zr<13>,1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zr<13>,1|C<4>,1|H<1>}	C[6](C[6]N[6]ZrH)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	114.6110	0.000	1	114.6110	0.000	1	114.6110	0.000	1	119.0209	8.835	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6]-3:H-1:	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]H){2|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	123.3650	0.000	1	123.3650	0.000	1	123.2085	0.049	2	119.0209	8.835	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	Si[6]-4:C[6]-3:H-1:	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si)	C[6](C[6]C[6]N)(C[6]N[6]C)(H)	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H)	C[6](C[6]Si[6]H)(C[6]C[6]H)(NC[6a]Si){2|Br<1>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](Si[6]N[6]Br2)(C[6]C[6]N)(H){1|H<1>,2|C<3>}	123.0520	0.000	1	123.0520	0.000	1	123.2085	0.049	2	119.0209	8.835	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6a]C[6])(O)	C[6](C[6]C[6,6a]H)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6a]C[6])(O){1|H<1>,4|C<3>}	118.2430	0.000	1	118.2430	0.000	1	118.2430	0.000	1	119.0209	8.835	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(H){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H){1|H<1>,6|C<3>}	116.0510	0.000	1	116.0510	0.000	1	118.6235	13.236	2	119.0209	8.835	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]S[6])(H)	C[6](C[6]C[6a]S[6]C)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{1|C<4>,1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]S[6])(H){1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6]C)(C[6]C[6a]C[6])(H){1|H<1>,5|C<3>}	121.1960	0.000	1	121.1960	0.000	1	118.6235	13.236	2	119.0209	8.835	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<3>,2|H<1>}	119.0190	0.000	1	119.0190	0.000	1	119.0190	0.000	1	119.0190	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(COO){3|C<3>,3|H<1>}	120.0820	0.192	2	120.0820	0.037	2	120.0820	0.037	2	120.0820	0.037	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	2:3:1:	C[6]-3:C[6]-3:C-3:	N[6,6a]-3:C[6]-3:N-2:	N[6]-2:C[6]-3:H-1:	C[6](C[6]N[6,6a]N)(C[6]N[6]H)(CCO)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a])	C[6](N[6]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]N[6,6a]N)(C[6]N[6]H)(CCO){2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]){1|N<2>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a])(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|N<3>}	118.8020	0.000	1	118.8020	0.000	1	118.8020	0.000	1	118.8020	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[4a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:O-2:	C[6](C[4a]C[4a]2)(C[6]C[6]O)2	C[6](C[6]C[4a]C[6])(C[6]C[6]H)(OH)	C[6](C[6]C[4a]C[6])(C[6]C[6])(OH)	C[6](C[4a]C[4a]2)(C[6]C[6]O)2{1|H<1>,2|C<3>,2|O<1>}	C[6](C[6]C[4a]C[6])(C[6]C[6]H)(OH){1|C<2>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[4a]C[6])(C[6]C[6])(OH){1|N<3>,1|O<2>,3|C<3>}	116.2500	0.000	1	116.2500	0.000	1	116.2500	0.000	1	117.8143	2.294	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]N[6])(C[6]C[6]O)2	C[6](C[6]C[6]2)(C[6]C[6]H)(OC)	C[6](C[6]C[6]2)(C[6]C[6])(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]O)2{1|Ag<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(OC){1|C<2>,1|C<3>,1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]2)(C[6]C[6])(OC){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	119.2740	0.000	1	119.2740	0.000	1	119.2740	0.000	1	117.8143	2.294	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:2:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-2:	C[6]-3:N[6]-2:C-2:	C[6](C[6]N[6]C)(C[6]N[6]N)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]O)(NH)	C[6](C[6]C[6]N)(N[6]C[6])(CN)	C[6](C[6]N[6]C)(C[6]N[6]N)(NHH){1|C<3>,1|O<2>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NH){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)(N[6]C[6])(CN){1|H<1>,1|N<2>,1|N<3>}	117.9190	0.000	1	117.9190	0.000	1	117.9190	0.000	1	117.8143	2.294	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:2:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:O[6]-2:C-4:	C[6](C[6]C[6]C)(C[6]O[6]C)(CCO)	C[6](C[6]C[6]C)(C[6]C[6]N)(CC)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCO){1|C<3>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CC){1|C<4>,1|N<2>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|C<2>,1|C<3>,1|N<2>}	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	120.4490	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a,6]S[5a])(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a,6]S[5a])(C[6]C[6]O)2{1|O<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,1|S<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|O<2>,1|S<2>,3|C<3>}	118.3960	0.000	1	118.3960	0.000	1	118.2322	0.552	5	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	118.0510	0.430	2	118.1912	0.725	4	118.2322	0.552	5	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|H<1>,1|N<3>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(OC){1|O<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	118.3315	1.382	2	118.1912	0.725	4	118.2322	0.552	5	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:O-1:	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(OH)	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(O)	C[6](C[5a]C[5a]N[5a])(C[6]N[6]O)2{1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(OH){1|C<3>,1|N<2>,1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[5a]C[6])(N[6]C[6]H)(O){1|C<3>,1|N<2>,1|N<3>,1|O<2>,1|S<1>}	120.5460	0.000	1	120.5460	0.000	1	120.5460	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(COO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(COO){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>}	120.3380	0.000	1	120.3380	0.000	1	120.3380	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(COO){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){1|O<2>,2|C<3>}	120.2130	0.194	2	120.2130	0.038	2	120.2130	0.038	2	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OBa)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OBa){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	119.7230	0.013	2	119.7230	0.000	2	118.6950	0.254	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCa)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCa){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	118.5893	0.324	3	118.5893	0.105	3	118.6950	0.254	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCo)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCo){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	118.7468	0.361	5	118.7468	0.131	5	118.6950	0.254	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>}	117.9570	0.000	1	118.5844	0.216	8	118.6950	0.254	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OCu){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	118.6740	0.420	7	118.5844	0.216	8	118.6950	0.254	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OH){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	119.1390	0.000	1	119.1390	0.000	1	118.6950	0.254	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	118.4900	0.000	1	118.4900	0.000	1	118.6950	0.254	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMn){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	119.0950	0.000	1	119.0950	0.000	1	118.6950	0.254	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ONi){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>}	118.9030	0.000	1	118.9030	0.000	1	118.6950	0.254	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(ORu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>}	117.9675	0.490	2	117.9675	0.240	2	118.6950	0.254	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|O<2>,2|C<3>}	118.4035	0.435	2	118.5263	0.140	3	118.6950	0.254	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:O-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OZn){1|N<3>,2|H<1>,2|N<2>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<2>}	118.7720	0.000	1	118.5263	0.140	3	118.6950	0.254	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:S-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SRu)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]S)(C[6]N[6]H)(COO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(SRu){1|C<3>,1|N<2>,1|N<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<2>}	118.6970	0.000	1	118.6970	0.000	1	118.6970	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH)	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCH){1|C<4>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<2>,1|C<3>,1|C<4>}	113.9500	0.000	1	113.9500	0.000	1	113.9500	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(OP)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OP){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	116.8790	0.000	1	116.8790	0.000	1	117.6358	0.874	4	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<1>,1|O<2>}	116.7770	0.000	1	116.7770	0.000	1	117.6358	0.874	4	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(OCu)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(OCu){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	118.4435	0.087	2	118.4435	0.008	2	117.6358	0.874	4	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCN)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CCN){3|C<3>}	C[6](C[6]C[6]C)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|O<2>}	118.7200	0.000	1	118.7200	0.000	1	120.2910	0.922	13	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CCO){3|C<3>}	C[6](C[6]C[6]C)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|O<2>}	119.1110	0.000	1	119.1110	0.000	1	120.2910	0.922	13	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(CC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	121.3360	0.000	1	121.3360	0.000	1	120.2910	0.922	13	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]O)2(CHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|O<2>}	119.0520	0.000	1	119.0520	0.000	1	120.2910	0.922	13	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CHN)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CHN){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|H<1>,1|O<2>}	121.0358	0.524	4	121.0358	0.274	4	120.2910	0.922	13	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(COO)	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a])	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(COO){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OC[6a]){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|O<2>,2|C<3>}	120.2842	0.620	5	120.2842	0.384	5	120.2910	0.922	13	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OZn){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	118.5435	0.179	2	118.5435	0.032	2	118.5435	0.032	2	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OCo){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>}	117.2520	0.259	2	117.2520	0.067	2	117.1500	0.147	4	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(OFe)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OFe){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>}	117.4550	0.000	1	117.4550	0.000	1	117.1500	0.147	4	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(OMn)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(OMn){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|O<2>}	116.6410	0.000	1	116.6410	0.000	1	117.1500	0.147	4	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CNS)	C[6](C[6]C[6]C)(N[6]C[6]C)(OH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)2(CNS){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(OH){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|N<3>,1|O<2>,1|S<1>}	116.8750	0.000	1	116.8750	0.000	1	116.8750	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CC[6a]O){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|N<3>,1|S<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|N<2>,1|S<1>}	116.1315	0.244	2	116.1315	0.060	2	116.1315	0.060	2	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]O)(C[6]C[6]H)(COO)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6]N[6,6a]O)(C[6]C[6]H)(COO){1|H<1>,2|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(OMg){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|C<3>,1|N<3>,1|O<2>}	120.2840	0.000	1	120.2840	0.000	1	120.2840	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]2)(C[6]C[6]O)(OH)	C[6](C[6]C[6]2)(C[6]C[6]O)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)2{2|O<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(O){1|C<4>,1|O<2>,3|C<3>}	117.6610	0.000	1	117.6610	0.000	1	117.6610	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[3,6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]O[6])(C[6]N[3,6]O)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[3,6])	C[6](N[3,6]C[3,6]C[3])(C[6]C[6a]C[6])(O)	C[6](C[6]C[6a]O[6])(C[6]N[3,6]O)(C[6a]C[6a]2){2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[3,6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[3,6]C[3,6]C[3])(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,1|O<2>,4|C<3>}	118.1530	0.000	1	118.1530	0.000	1	118.1530	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:	N[5,6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[5,6])	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(O)	C[6](C[6]C[6a]O[6])(C[6]N[5,6]O)(C[6a]C[6a]2){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[5,6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(O){1|O<1>,1|O<2>,2|C<4>,4|C<3>}	119.3380	0.000	1	119.3380	0.000	1	119.3380	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6a]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]Pd)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(OPd)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(NC[6a]Pd){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(OPd){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(H){1|O<2>,2|C<3>}	119.6537	2.066	3	119.6537	4.268	3	119.6537	4.268	3	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a])	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	119.1390	0.000	1	119.1390	0.000	1	119.2185	0.013	2	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a])	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NC[6a]){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<2>}	119.2980	0.000	1	119.2980	0.000	1	119.2185	0.013	2	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NCuC)	C[6](C[6]C[6]H)(C[6]C[6]N)(OCu)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NCuC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OCu){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	117.2220	0.000	1	117.2220	0.000	1	119.6618	1.608	17	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(OH)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	120.3810	0.000	1	120.3810	0.000	1	119.6618	1.608	17	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NNiC)	C[6](C[6]C[6]H)(C[6]C[6]N)(ONi)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NNiC){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(ONi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	119.9800	0.000	1	120.4733	0.243	3	119.6618	1.608	17	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NNiC)	C[6](C[6]C[6]H)(C[6]C[6]N)(ONi)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NNiC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(ONi){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	120.7200	0.346	2	120.4733	0.243	3	119.6618	1.608	17	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]N)2(OH)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	120.4446	0.255	7	120.4446	0.065	7	119.6618	1.608	17	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NPdC)	C[6](C[6]C[6]H)(C[6]C[6]N)(OPd)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NPdC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OPd){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	118.0403	0.080	3	118.0403	0.006	3	119.6618	1.608	17	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(NPtC)	C[6](C[6]C[6]H)(C[6]C[6]N)(OPt)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(NPtC){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OPt){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(H){1|C<3>,1|O<1>,1|O<2>}	118.9975	1.828	2	118.9975	3.341	2	119.6618	1.608	17	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(OH)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	122.5365	2.289	2	122.5365	5.239	2	124.5814	2.982	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(OH)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)2(O){1|C<3>,1|H<1>,1|O<2>}	126.5781	0.341	7	124.7450	2.636	25	124.5814	2.982	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(OH)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|O<2>}	124.0322	1.326	18	124.7450	2.636	25	124.5814	2.982	27	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:O-2:	C[6]-3:N[6]-3:N-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(NCdC)	C[6](C[6]C[6]N)(N[6]C[6]C)(OCd)	C[6](C[6]C[6]N)(N[6]C[6]C)(N)	C[6](C[6]N[6]N)(C[6]N[6]O)(NCdC){1|C<3>,2|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]C)(OCd){1|N<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]C)(N){1|N<3>,1|O<1>,1|O<2>}	118.9850	0.000	1	118.9850	0.000	1	118.9850	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(OC)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(N[6]C[6]2){1|C<2>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(OC){1|C<2>,1|O<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(O){1|C<2>,1|O<2>,3|C<3>}	125.0050	0.000	1	125.0050	0.000	1	125.0050	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu2)	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(SRu2){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]S)(C[6]N[6]C)(ORu){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<2>}	119.9955	0.474	2	119.9955	0.225	2	119.9955	0.225	2	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]S[6])	C[6](C[6]C[6a]C[6])(C[6]C[6a]S[6])(H)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]C[6]H){1|S<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]S[6]){2|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]S[6])(H){1|O<2>,2|O<1>,5|C<3>}	120.6120	0.000	1	120.6120	0.000	1	120.6120	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6]C[6a]C[6])(N[6]C[6a]B[6])(H)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]H){1|B<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|N<3>,2|F<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]B[6])(H){1|O<2>,2|F<1>,5|C<3>}	118.3220	0.000	1	118.3220	0.000	1	118.3220	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[6a]O[6])(C[6a]C[6a]2)(C[6]N[6]O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6]){1|C<4>,1|N<3>,1|O<1>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|O<2>,4|C<3>}	117.8700	0.000	1	117.8700	0.000	1	117.8700	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6])	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[6a]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,2|C<3>,2|H<1>,3|N<2>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6]){1|Ru<6>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|N<2>,1|N<3>,4|C<3>}	116.0650	0.000	1	116.0650	0.000	1	116.0650	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(OH)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(OH){1|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(O){1|O<2>,4|C<3>}	115.6600	0.000	1	115.6600	0.000	1	115.6600	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(NS)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6a]C[6])(NS){1|H<1>,1|N<3>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|N<3>}	117.6080	0.000	1	117.6080	0.000	1	117.6080	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6])	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]N[6])(C[6]C[6]H){1|H<1>,1|N<2>,1|N<3>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6]){1|Ru<6>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(H){1|Ru<6>,1|N<3>,2|N<2>,3|C<3>}	116.5460	0.000	1	116.5460	0.000	1	116.5460	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(OC[6a])	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H)	C[6](N[5a]C[5a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,2|H<1>,4|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(OC[6a]){1|H<1>,3|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]H)(H){1|O<2>,3|C<3>}	118.7150	0.000	1	118.7150	0.000	1	118.7150	0.000	1	120.1178	7.818	129	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CCO){3|C<3>}	C[6](C[6]C[6]C)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(OH){1|C<3>,1|O<1>,1|O<2>}	118.0300	0.000	1	118.0300	0.000	1	118.0300	0.000	1	119.5929	1.410	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]N[6]O)(CN)	C[6](C[6]C[6]2)(C[6]N[6]O)(CN)	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<3>,2|H<1>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2)(C[6]N[6]O)(CN){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]O)(CN){1|C<2>,1|C<4>,3|C<3>}	119.4757	0.441	3	119.4757	0.195	3	119.4757	0.195	3	119.5929	1.410	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6a]-3:O[6]-2:	C[6](C[6]C[6a]O[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6])	C[6](C[6]C[6a]O[6])2(C[6a]C[6a]2){1|B<4>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|O<2>,2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]B[6]){1|O<2>,2|H<1>,7|C<3>}	118.0000	0.000	1	118.0000	0.000	1	118.0000	0.000	1	119.5929	1.410	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(NOO)	C[6](C[6]C[6]N)2(OH)	C[6](C[6]C[6]N)2(OH)	C[6](C[6]C[6]O)2(NOO){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)2(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)2(OH){1|C<3>,1|O<1>,1|O<2>}	120.2021	0.941	9	120.2021	0.886	9	120.2021	0.886	9	119.5929	1.410	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6])(CN)	C[6](C[6]C[6a]C[6])(C[6]N[6,6]N)(CN)	C[6](C[6]C[6,6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6a]C[6])(CN){1|C<2>,1|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6,6]N)(CN){1|C<2>,1|C<4>,3|C<3>}	117.6180	0.000	1	117.6180	0.000	1	117.6180	0.000	1	119.5929	1.410	15	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(CCO)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(CCO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	118.3480	0.000	1	118.3480	0.000	1	119.6213	0.802	4	120.0700	1.911	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(CC[6a]O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	120.1280	0.000	1	120.1280	0.000	1	119.6213	0.802	4	120.0700	1.911	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(CHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a])	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(CHO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	120.0045	0.484	2	120.0045	0.235	2	119.6213	0.802	4	120.0700	1.911	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]2)(C[6]C[6]O)(OH)	C[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]2)(C[6]C[6]O)2{2|O<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(OH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)2{2|O<1>,2|O<2>,3|C<3>}	122.5060	0.000	1	122.5060	0.000	1	122.5060	0.000	1	120.0700	1.911	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:O[6]-2:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6])	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(O[6]C[6]){3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	119.4290	0.000	1	119.4290	0.000	1	119.4290	0.000	1	120.0700	1.911	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC)	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(OC){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CO)(O){1|O<2>,4|C<3>}	118.8390	0.000	1	118.8390	0.000	1	118.8390	0.000	1	118.8390	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	118.5227	0.355	3	118.5227	0.126	3	118.5227	0.126	3	119.3979	7.378	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]O)(OMg)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHN){1|C<2>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OMg){1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|O<2>}	120.1480	0.000	1	120.1480	0.000	1	120.1480	0.000	1	119.3979	7.378	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCH){1|C<4>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|H<1>}	113.8570	0.000	1	113.8570	0.000	1	116.1845	10.835	2	119.3979	7.378	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]2)(C[6]C[6]C)(OH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	118.5120	0.000	1	118.5120	0.000	1	116.1845	10.835	2	119.3979	7.378	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6a]O[6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>}	120.2005	0.131	2	120.2005	0.017	2	120.2005	0.017	2	119.3979	7.378	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:S[6]-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6a]S[6])(C[6]C[6]O)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6])	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6a]S[6])(C[6]C[6]O)(COO){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(S[6]C[6]){1|O<1>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|S<2>,2|C<4>}	124.7550	0.000	1	124.7550	0.000	1	124.7550	0.000	1	119.3979	7.378	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:2:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(CN)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N)(CN){1|C<4>,1|H<1>,2|C<2>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H){3|C<2>,5|C<3>}	120.7380	0.000	1	120.7380	0.000	1	120.7380	0.000	1	119.3979	7.378	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	2:3:2:	C[6]-3:C[6]-3:N-3:	C[5a,6]-3:C[6]-3:C-3:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO)	C[6](O[6]C[5a,6])(C[6]C[6]N)(NC[6a])	C[6](C[6]C[5a,6]C)(C[6]O[6]N)(NC[6a]H){2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]N)(COO){1|N<2>,1|N<3>,1|O<2>,2|C<3>}	C[6](O[6]C[5a,6])(C[6]C[6]N)(NC[6a]){1|N<3>,2|C<3>}	120.5490	0.000	1	120.5490	0.000	1	120.5490	0.000	1	120.5490	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6])(H){1|H<1>,3|C<3>}	122.8340	0.000	1	122.8340	0.000	1	122.8340	0.000	1	119.8728	3.281	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2){1|C<2>,2|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|H<1>,2|C<3>}	119.7170	0.000	1	119.7170	0.000	1	119.7170	0.000	1	119.8728	3.281	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NCuC)	C[6](C[6]C[6]H)(C[6]C[6]N)(NCuC)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NCuC){1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NCuC){1|C<2>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|N<3>}	119.7130	0.000	1	119.7130	0.000	1	119.7130	0.000	1	119.8728	3.281	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]H)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(O[6]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]H){2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(H){5|C<3>}	117.9160	0.000	1	117.9160	0.000	1	117.9160	0.000	1	119.8728	3.281	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:1:	C[6]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a])(H)	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]H){2|H<1>,6|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,4|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6a])(H){1|N<3>,4|C<3>}	119.1840	0.000	1	119.1840	0.000	1	119.1840	0.000	1	119.8728	3.281	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2)	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2)	C[6](C[6]C[6]S)(C[6]C[6])(OH)	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2){1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]S)(C[6]C[6])(OH){1|C<3>,1|H<1>,1|S<3>}	120.6680	0.000	1	120.6680	0.000	1	120.6680	0.000	1	120.4185	0.125	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:O[6]-2:N-2:	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(NS)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]N){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(NS){5|C<3>}	120.1690	0.000	1	120.1690	0.000	1	120.1690	0.000	1	120.4185	0.125	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:2:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CSiH)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]O[6]C){2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6,6a])(CSiH){5|C<3>}	120.7670	0.000	1	120.7670	0.000	1	120.7670	0.000	1	120.7670	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(COO)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|C<4>,1|S<2>,3|C<3>}	118.2300	0.000	1	118.2300	0.000	1	118.2300	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(O){1|C<4>,1|N<3>,1|O<2>,2|C<3>}	119.7340	0.000	1	119.7340	0.000	1	119.7340	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[5a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[5a]C[5a]2)(C[6]C[6]O){1|H<1>,1|O<1>,1|S<2>,2|C<4>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O){1|C<4>,4|C<3>}	119.4530	1.242	2	119.4530	1.542	2	119.4530	1.542	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[5a]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[5a]N[5a]2)(C[6]C[6]H)	C[6](C[6a]C[6a]N[6a])(C[6]C[5a]C[6])(N[6]C[6]Pt)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[5a]N[5a]2)(C[6]C[6]H){1|Pt<4>,1|N<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[5a]C[6])(N[6]C[6]Pt){1|N<2>,1|N<3>,2|H<1>,4|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>,2|N<3>}	118.9560	0.000	1	118.9560	0.000	1	118.9560	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(COO)	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(COO){1|C<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[5a]C[5a]S[5a])(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|C<3>}	118.8900	0.000	1	118.8900	0.000	1	118.8900	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(COO){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){3|C<3>}	121.9890	0.000	1	121.9890	0.000	1	121.9890	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]H)(COO){1|C<4>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){2|C<3>,2|H<1>,2|O<1>,3|N<3>}	C[6](N[6]C[6,6a]C[3])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	120.1980	0.000	1	120.1980	0.000	1	120.1980	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	118.3750	0.861	2	118.3750	0.742	2	118.8521	0.665	9	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCH)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H){1|Si<4>,2|H<1>}	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCH){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(H){2|C<3>,2|C<4>}	119.3500	0.000	1	119.3500	0.000	1	118.8521	0.665	9	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H)	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO)	C[6](C[6]C[6a]Si[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H){1|Si<4>,2|C<3>}	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6a]Si[6])(C[6]C[6]C)(H){2|C<4>,4|C<3>}	119.5190	0.000	1	119.5190	0.000	1	118.8521	0.665	9	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CNO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<4>,2|C<3>}	117.2350	0.000	1	117.2350	0.000	1	118.8521	0.665	9	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	119.2037	0.327	4	119.2037	0.107	4	118.8521	0.665	9	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	118.6200	1.382	2	118.6200	1.909	2	118.7738	0.398	6	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8508	0.060	4	118.8508	0.004	4	118.7738	0.398	6	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO)	C[6](C[6]C[6]C)(C[6]C[6]H)(CNO)	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CNO){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CNO){1|N<3>,2|H<1>}	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.0380	0.000	1	119.0380	0.000	1	118.6635	0.281	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(COO){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){3|C<3>}	118.2890	0.000	1	118.2890	0.000	1	118.6635	0.281	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(COO)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(COO){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	121.1220	0.782	2	121.1220	0.612	2	121.1220	0.612	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CHH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6570	0.000	1	118.6570	0.000	1	118.6570	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(COO)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	118.8275	0.391	2	118.8275	0.153	2	118.8275	0.153	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[5a]2){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	118.4140	0.000	1	118.4140	0.000	1	118.4140	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|N<3>}	118.3640	0.000	1	118.3640	0.000	1	119.0815	1.030	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>}	119.7990	0.000	1	119.7990	0.000	1	119.0815	1.030	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]N[6]H)(CN[5]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(CN[5]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.3940	0.000	1	119.3940	0.000	1	119.3940	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CC[6a]O)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CC[6a]O){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	122.4390	0.000	1	122.4390	0.000	1	122.4390	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.4630	0.000	1	118.4630	0.000	1	118.3938	0.326	5	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.6035	0.636	2	118.6035	0.404	2	118.3938	0.326	5	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.1495	0.829	2	118.1495	0.688	2	118.3938	0.326	5	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O)	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]O){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NCH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|O<2>,2|N<3>}	116.5920	0.000	1	116.5920	0.000	1	118.7609	0.530	18	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.0770	0.000	1	119.0770	0.000	1	118.7609	0.530	18	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.9400	0.000	1	118.9400	0.000	1	118.7609	0.530	18	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]C){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.2010	0.744	2	119.2010	0.553	2	118.7609	0.530	18	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NC[6a]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.6088	0.355	4	118.6088	0.126	4	118.7609	0.530	18	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	118.9168	0.565	9	118.9168	0.319	9	118.7609	0.530	18	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO)	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(CHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(NHH){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|S<1>,2|N<3>}	119.2670	0.000	1	119.2670	0.000	1	119.2670	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<4>,2|C<3>}	113.3320	0.000	1	113.3320	0.000	1	113.3320	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|H<1>,2|C<3>}	116.3950	0.007	2	116.3950	0.000	2	117.5012	1.653	4	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	118.6075	0.250	2	118.6075	0.062	2	117.5012	1.653	4	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){6|C<3>}	117.3175	0.022	2	117.3175	0.000	2	117.3175	0.000	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CC[6a]O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CC[6a]O){1|C<4>,1|S<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]S){3|C<3>,5|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,2|H<1>}	119.7510	0.000	1	119.7510	0.000	1	119.7510	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO)	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO){1|Co<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Co)(C[5]N[5]2)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.2055	0.855	2	116.2055	0.731	2	116.1988	0.257	4	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[5]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO)	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5]N[6])(C[6]C[6]H)(COO){1|Mn<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](N[6]C[6]Mn)(C[5]N[5]2)(C[6]C[6]C){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.1920	0.202	2	116.1920	0.041	2	116.1988	0.257	4	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(COO)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(COO){1|C<4>,4|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,6|C<3>}	C[6](C[6]C[6]C)2(H){1|H<1>,1|N<3>,2|C<3>}	117.3880	0.000	1	117.3880	0.000	1	117.3880	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[5a]-3:	C[6]-3:C[6]-3:C[5a]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2)	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O)	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,5|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6,6a]O)(C[5a]C[5a]2){1|C<4>,1|H<1>,1|O<1>,1|S<2>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5a]C[6])(O){1|H<1>,6|C<3>}	120.5433	0.255	4	120.5433	0.065	4	120.5433	0.065	4	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(COO)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	118.6915	0.091	2	118.6915	0.008	2	118.6915	0.008	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){2|H<1>,5|C<3>}	121.8865	0.067	2	119.9063	11.765	3	119.6235	8.164	4	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	115.9460	0.000	1	119.9063	11.765	3	119.6235	8.164	4	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O){1|O<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O){1|O<1>,2|O<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|H<1>,1|O<2>,5|C<3>}	118.7750	0.000	1	118.7750	0.000	1	119.6235	8.164	4	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]2)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)2(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]2)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	C[6](C[6]C[6]2)2(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,4|C<3>}	120.3945	0.456	2	120.3945	0.208	2	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H){1|O<1>,4|C<3>}	122.1430	0.082	2	122.5443	0.487	3	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(H){1|O<1>,4|C<3>}	123.3470	0.000	1	122.5443	0.487	3	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	116.9740	0.000	1	116.9740	0.000	1	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	116.8640	1.525	2	116.8640	2.324	2	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|O<1>,3|C<3>}	122.1460	0.000	1	122.1460	0.000	1	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|N<3>,3|C<3>}	120.7505	0.274	2	120.7505	0.075	2	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	121.4360	0.563	2	121.4360	0.317	2	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|C<2>,1|C<3>,1|N<2>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|C<2>,1|H<1>,2|C<3>}	121.3270	0.000	1	121.2306	1.217	236	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|H<1>,4|C<3>}	121.3639	1.390	26	121.2306	1.217	236	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){2|H<1>,3|C<3>}	121.2136	1.068	209	121.2306	1.217	236	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]O[6])(C[6]C[6]2)(H){1|H<1>,5|C<3>}	123.5495	0.527	2	123.5495	0.278	2	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6a]S[6])(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)2{1|S<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]S[6])(C[6]C[6]2)(H){1|H<1>,5|C<3>}	121.6530	0.088	2	121.6530	0.008	2	121.2114	1.450	253	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]C[6]O){2|H<1>,2|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,1|H<1>,3|C<3>}	119.2260	0.000	1	119.2260	0.000	1	117.9287	1.284	3	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2)2(C[6]C[6]O)	C[6](C[6]C[6,6a]2)(C[6]C[6]2)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6]2)2(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6,6a]2)(C[6]C[6]2)(C[6]C[6]H){1|H<1>,1|O<1>,7|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|H<1>,4|C<3>}	117.2800	0.208	2	117.2800	0.043	2	117.9287	1.284	3	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Ni)(C[6]C[6]2)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(C[6]N[6]H){1|Ni<6>,1|N<3>,2|C<3>,3|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]2)(H){1|H<1>,4|C<3>}	122.6670	1.327	2	122.6670	1.760	2	122.6670	1.760	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]N[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]N[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6](C[6,6a]N[6,6a]N[6a])(C[6]C[6a]C[6])(H){6|C<3>}	118.4350	0.000	1	118.4350	0.000	1	118.4350	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:N[5]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6,6]H)(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(N[6]C[6,6]Ru)(N[5]C[5]2)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]N[5]N[6])(C[6]C[6,6]H)(C[6a]C[6a]2){1|Ru<5>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6]Ru)(N[5]C[5]2){2|H<1>,2|N<3>,4|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6a]C[6])(H){1|H<1>,3|C<3>,3|N<3>}	115.7110	0.000	1	115.7110	0.000	1	115.7110	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH)	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(NCH){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5a]C[5a]O[5a])(C[6]C[6]N)(C[6]C[6]O){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|O<2>,2|C<3>}	119.6710	0.000	1	119.6710	0.000	1	119.6710	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]H)(C[6]C[6]N)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(NOO){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(Br){1|Br<1>,2|C<3>}	123.2730	0.000	1	123.2730	0.000	1	123.2730	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(COO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(COO){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	117.0970	0.349	4	117.0970	0.122	4	117.6980	2.832	6	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NCuC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHN)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NCuC){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){2|C<3>}	116.7250	0.000	1	116.7250	0.000	1	117.6980	2.832	6	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(COO)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(COO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){2|C<3>}	121.0750	0.000	1	121.0750	0.000	1	117.6980	2.832	6	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(CC[6a]O)	C[6](C[6]C[6]H)(C[6]C[6]N)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]N)2(CC[6a]O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(O){1|H<1>,2|C<3>}	120.1230	0.000	1	120.1230	0.000	1	120.1230	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NMoC)	C[6](C[6]C[6]H)(C[6]C[6]N)(NMoC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NMoC){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NMoC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>}	119.4200	0.000	1	119.4200	0.000	1	118.8107	0.280	3	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC)	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|N<3>}	118.4700	0.000	1	118.4700	0.000	1	118.8107	0.280	3	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC)	C[6](C[6]C[6]N)(C[6]N[6]H)(NZnC)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NZnC){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NZnC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|N<3>}	118.5420	0.000	1	118.5420	0.000	1	118.8107	0.280	3	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(NCC){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|N<3>}	119.2445	0.378	2	119.2445	0.143	2	119.7818	0.435	4	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)2(O){1|C<3>,2|N<3>}	120.3190	0.085	2	120.3190	0.007	2	119.7818	0.435	4	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	123.6490	0.000	1	123.6490	0.000	1	123.2543	0.122	3	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	123.0570	0.098	2	123.0570	0.010	2	123.2543	0.122	3	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NCC){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N){1|N<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	119.5190	0.000	1	119.5190	0.000	1	118.9460	3.611	16	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[5]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[5]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	117.9835	0.807	2	117.9835	0.651	2	118.9460	3.611	16	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NC[6]H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	118.2700	0.247	4	118.2700	0.061	4	118.9460	3.611	16	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	116.6670	0.000	1	116.6670	0.000	1	118.9460	3.611	16	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	117.2060	0.000	1	117.2060	0.000	1	118.9460	3.611	16	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	117.1890	0.000	1	117.1890	0.000	1	118.9460	3.611	16	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	116.9770	0.000	1	116.9770	0.000	1	118.9460	3.611	16	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NNiC)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NNiC){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N){1|Ni<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	119.0900	0.000	1	119.0900	0.000	1	118.9460	3.611	16	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	121.8603	0.225	4	121.8603	0.050	4	118.9460	3.611	16	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	117.7653	0.388	17	117.7653	0.151	17	119.5471	2.975	37	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	121.1043	0.515	18	121.1043	0.265	18	119.5471	2.975	37	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	C[6](C[6]C[6]N)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(NOO){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)2(H){3|N<3>}	120.6780	0.000	2	120.6780	0.000	2	119.5471	2.975	37	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NOO)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NOO){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	122.9330	0.000	1	122.9330	0.000	1	122.9330	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NHH)	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Fe)(C[6]C[6]N)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(NHH){1|Fe<6>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6]Fe)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	118.0680	0.000	1	118.0680	0.000	1	118.0680	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(CN[5]O)	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2){1|N<3>,2|C<4>,6|H<1>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(CN[5]O){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]N[5])(C[6]N[6]H)(H){2|C<3>,3|C<4>}	114.6710	0.000	1	114.6710	0.000	1	114.6710	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	124.7540	0.216	2	124.7540	0.047	2	123.9032	2.112	10	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,2|C<3>,2|N<3>}	125.7040	0.460	2	125.0517	0.640	4	123.9032	2.112	10	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]H){3|C<3>,4|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|N<3>,2|C<3>,2|H<1>}	124.3995	0.091	2	125.0517	0.640	4	123.9032	2.112	10	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|C<4>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.5600	0.000	1	122.2075	0.249	2	123.9032	2.112	10	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	121.8550	0.000	1	122.2075	0.249	2	123.9032	2.112	10	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	122.2250	0.000	1	122.4510	0.102	2	123.9032	2.112	10	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(N[6]C[6]O){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|O<2>,2|C<3>}	122.6770	0.000	1	122.4510	0.102	2	123.9032	2.112	10	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:P[6]-3:	C[6]-3:C[6]-3:P[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]W)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]W)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]W){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(P[6]C[6]W){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|C<4>,1|P<3>,1|W<6>,2|C<3>}	125.6980	0.000	1	125.6980	0.000	1	125.6980	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2)	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2)	C[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,1|H<1>,1|S<3>}	121.5880	1.201	2	121.5880	1.442	2	121.7617	0.350	9	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo)	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){1|Cl<1>,1|C<3>,1|S<3>}	121.9778	0.572	4	121.9082	0.269	5	121.7617	0.350	9	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo)	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){1|Cl<1>,1|C<3>,1|S<3>}	121.6300	0.000	1	121.9082	0.269	5	121.7617	0.350	9	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo)	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo)	C[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,1|H<1>,1|S<3>}	121.5690	0.187	2	121.5690	0.035	2	121.7617	0.350	9	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]N[5a,6]H)(H)	C[6](C[6]C[5a,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){1|N<3>,3|H<1>,5|C<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,4|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[5a,6]H)(H){5|C<3>}	118.9070	0.000	1	118.9070	0.000	1	118.9070	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(O)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,1|O<1>,2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(O){5|C<3>}	120.0220	0.000	1	119.9658	0.136	5	119.9658	0.136	5	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(O)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<1>,3|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(O){5|C<3>}	119.9518	0.425	4	119.9658	0.136	5	119.9658	0.136	5	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|N<2>,4|C<3>}	117.0260	0.000	1	117.0260	0.000	1	117.0260	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:Si[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]Si[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]Si[6]H)	C[6](C[6]C[6a]C[6])(Si[6]Si[6]Si)(H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]Si[6]H){1|Si<3>,1|Si<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]Si[6]H){1|Si<3>,1|Si<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(Si[6]Si[6]Si)(H){1|Si<4>,4|C<3>}	123.9590	0.187	2	123.9590	0.035	2	123.9590	0.035	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:P[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]P[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(P[6]C[6]S)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6]C[6a]P[6])(C[6a]C[6a]2)(C[6]C[6]H){1|S<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(P[6]C[6]S){3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])2(H){1|P<3>,6|C<3>}	122.9580	0.928	2	122.9580	0.861	2	122.9580	0.861	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(H)	C[6](C[6]N[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]H){3|H<1>,6|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){4|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(H){1|N<3>,4|C<3>}	119.4890	0.226	3	119.4890	0.051	3	119.4890	0.051	3	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Co)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	123.6410	0.000	1	123.6410	0.000	1	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cr)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	125.1580	0.000	1	125.1580	0.000	1	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	124.4190	0.000	1	124.4190	0.000	1	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	122.5940	0.000	1	122.8900	0.752	9	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<7>,1|H<1>,1|N<3>,2|C<3>}	124.6080	0.000	1	122.8900	0.752	9	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	122.4887	0.836	4	122.8900	0.752	9	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|P<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){1|P<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<4>,1|H<1>,1|N<3>,2|C<3>}	122.7925	0.271	2	122.8900	0.752	9	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Fe)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Fe<6>,1|N<3>,3|C<3>}	123.2680	0.000	1	122.8900	0.752	9	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ir)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	123.3377	0.588	4	123.3377	0.346	4	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	122.6590	0.190	2	122.6590	0.036	2	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mo)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	124.9080	0.000	1	124.9080	0.000	1	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	124.7380	0.000	1	123.6600	2.324	2	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	122.5820	0.000	1	123.6600	2.324	2	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	124.1330	0.000	1	123.9415	0.073	2	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]H){3|C<3>,3|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ni<6>,1|N<3>,3|C<3>}	123.7500	0.000	1	123.9415	0.073	2	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Os)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	123.0400	0.000	1	123.0400	0.000	1	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pd)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	124.7580	0.000	1	124.7580	0.000	1	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	124.7900	0.000	2	124.2712	0.321	5	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	123.9253	0.440	3	124.2712	0.321	5	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Pt)(C[6]C[6]H){1|P<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	123.9830	0.000	1	123.9830	0.000	1	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Re)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	124.4395	1.029	2	124.4395	1.059	2	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.3980	0.000	1	123.3980	0.000	1	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]H){1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]O)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	123.0320	0.315	2	123.0320	0.099	2	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	123.0130	0.151	2	123.0130	0.023	2	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	122.4810	0.061	2	121.5525	1.158	4	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]H){1|Zn<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	120.6240	0.148	2	121.5525	1.158	4	123.3743	1.184	42	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|H<1>,4|C<3>}	118.0805	0.284	2	118.0805	0.080	2	118.0805	0.080	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCH)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCH){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(H){1|H<1>,4|C<3>}	120.8930	0.000	1	120.8930	0.000	1	120.8930	0.000	1	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]N[6]N){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH){2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])2(H){1|H<1>,2|N<3>,4|C<3>}	117.9840	0.399	2	117.9840	0.159	2	117.9840	0.159	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Cu<4>,1|N<3>,3|C<3>}	121.8000	0.000	1	121.8000	0.000	1	121.9570	0.049	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:1:	N[6]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H)	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]N[6])(C[6]C[6]H){2|H<1>,4|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]N[6])(H){1|Zn<4>,1|N<3>,3|C<3>}	122.1140	0.000	1	122.1140	0.000	1	121.9570	0.049	2	120.7282	3.991	500	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OCo)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O){1|O<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]O){1|O<1>,2|O<2>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OCo){1|O<1>,4|C<3>}	119.8080	0.000	1	119.8080	0.000	1	119.8080	0.000	1	119.0295	1.860	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6a]-3:C[6]-3:N[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6])	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Ru<6>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6a]C[6])(N[6]N[6]){1|Ru<6>,1|H<1>,6|C<3>}	116.9170	0.000	1	116.9170	0.000	1	116.9170	0.000	1	119.0295	1.860	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(NFeC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(NFeC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|H<1>,2|C<3>}	120.2840	0.000	1	120.2840	0.000	1	120.2840	0.000	1	119.0295	1.860	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:N[6]-3:N[6]-2:	C[6](C[6]N[6]2)2(NOO)	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6])	C[6](C[6]N[6]2)2(NOO){1|C<3>,1|H<1>,4|C<4>}	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]H){1|N<2>,2|C<4>,2|N<3>,4|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]2)(N[6]C[6]){2|C<4>,3|N<3>,4|H<1>}	116.9850	0.000	1	116.9850	0.000	1	116.9850	0.000	1	119.0295	1.860	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2)	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2)	C[6](C[6]C[6]H)(C[6]C[6]S)(OH)	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SFe2){1|C<3>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|C<3>,1|S<3>}	120.6730	0.000	1	120.6730	0.000	1	120.6890	0.001	2	119.0295	1.860	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:S-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo)	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(OH)	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(SMnMo){1|Cl<1>,1|C<3>,1|O<2>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(OH){1|Cl<1>,1|C<3>,1|S<3>}	120.7050	0.000	1	120.7050	0.000	1	120.6890	0.001	2	119.0295	1.860	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]C)(NC)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]N){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]C)(NC){5|C<3>}	118.7740	0.000	1	118.7740	0.000	1	118.7740	0.000	1	119.0295	1.860	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:N[6]-3:S-2:	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(SC)	C[6](C[6]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]N[6]S){3|H<1>,6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|S<2>,3|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6,6a]H)(SC){5|C<3>}	118.5830	0.000	1	118.5830	0.000	1	118.5830	0.000	1	119.0295	1.860	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]H){1|C<2>,1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){1|C<4>,4|C<3>}	118.6700	0.000	1	118.6700	0.000	1	118.6700	0.000	1	119.0295	1.860	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]S)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]S)(CN){1|H<1>,4|C<3>}	118.8960	0.000	1	118.8960	0.000	1	118.8960	0.000	1	119.0295	1.860	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:N-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO)	C[6](C[6]C[6,6a]N)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(NC[6a]H){1|H<1>,1|N<3>,3|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(COO){1|N<3>,2|C<3>}	118.1170	0.000	1	118.1170	0.000	1	118.1170	0.000	1	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]C)2(CCC){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	109.2810	0.085	2	109.2810	0.007	2	109.2810	0.007	2	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]N[6]C)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO)	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(COO){1|C<4>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO){1|N<3>,3|C<3>}	C[6](N[6]C[5,6]C[6a])(C[6]C[6]C)(COO){6|C<3>}	116.8590	0.000	1	116.8590	0.000	1	116.8590	0.000	1	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(COO){1|C<4>,1|H<1>,2|C<3>}	116.9950	0.086	2	116.9950	0.007	2	118.2153	4.471	3	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]S)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]S)(COO){1|H<1>,3|C<3>}	120.6560	0.000	1	120.6560	0.000	1	118.2153	4.471	3	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(COO)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(COO){2|H<1>,3|C<3>}	124.2710	1.247	2	124.2710	1.556	2	124.2710	1.556	2	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	B[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]B[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[6]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]B[6])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|F<1>,9|C<3>}	C[6](B[6]C[6a]C[6])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|F<1>,9|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|B<3>,2|F<1>,8|C<3>}	122.1940	0.000	1	122.1940	0.000	1	122.1940	0.000	1	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C[6a]-3:	N[5,6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C[6a])(C[6]N[5,6]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH)	C[6](C[6]C[6,6a]C[6a])(C[6]N[5,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,6|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,3|H<1>,7|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH){1|C<4>,2|H<1>,5|C<3>}	122.1590	0.112	2	122.1590	0.012	2	122.1590	0.012	2	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Rh<6>,1|N<3>,2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|Rh<6>,2|H<1>,8|C<3>}	120.1905	0.808	4	120.1905	0.652	4	120.1905	0.652	4	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]N[6]Cu)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Cu<4>,2|H<1>,2|N<3>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Cu<4>,2|H<1>,2|N<3>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]N[6]Cu){1|Cu<4>,1|H<1>,6|C<3>}	118.1250	0.724	2	118.1250	0.524	2	118.1713	0.269	3	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]N[6]Ru)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Ru<6>,1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]N[6]Ru){1|H<1>,6|C<3>}	118.2640	0.000	1	118.2640	0.000	1	118.1713	0.269	3	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]B[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]C)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|B<3>,2|F<1>,8|C<3>}	C[6](C[6]C[6a]B[6])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|F<1>,9|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]C){2|F<1>,7|C<3>}	121.0160	0.000	1	121.0160	0.000	1	120.0555	1.845	2	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]H)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|O<2>,3|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(C[6a]C[6a]2){2|H<1>,8|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]H){2|H<1>,6|C<3>}	119.0950	0.000	1	119.0950	0.000	1	120.0555	1.845	2	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Rh)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(C[6a]C[6a]2){1|Rh<6>,1|N<3>,2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]N[6])(N[6]C[6]Rh){1|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	118.4447	0.482	4	118.4447	0.232	4	118.4447	0.232	4	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]Rh)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|Rh<6>,2|H<1>,8|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]Rh){1|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	118.5905	0.067	2	118.7452	0.091	4	118.7452	0.091	4	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:N[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]Rh)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(C[6a]C[6a]2){1|Rh<6>,2|H<1>,8|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(N[6]C[6]Rh){2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|N<3>,2|H<1>,8|C<3>}	118.9000	0.417	2	118.7452	0.091	4	118.7452	0.091	4	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	N[6,6a]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]N[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2)	C[6](C[6]N[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){3|H<1>,8|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<2>,1|O<1>,2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]H)(C[6a]C[6a]2){1|N<2>,1|N<3>,2|H<1>,5|C<3>}	119.6800	0.000	1	119.6800	0.000	1	119.6800	0.000	1	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH)	C[6](C[6]C[6]N)2(NOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(NHH){1|C<3>,1|N<3>,1|O<1>}	120.2620	0.000	1	120.2620	0.000	1	120.2620	0.000	1	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6](C[6]N[6]N)2(NOO)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH)	C[6](C[6]N[6]N)2(NOO){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){3|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]O)(NHH){3|N<3>}	120.6010	0.379	2	120.6010	0.144	2	120.6010	0.144	2	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]N)(N[6]C[6]O){1|N<3>,1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NOO){1|C<4>,1|N<3>,1|O<1>,2|C<3>}	125.8590	0.000	1	125.8590	0.000	1	125.8590	0.000	1	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C[6a]-3:	B[6]-3:C[6]-3:C-3:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]C)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](B[6]C[6a]C[6])(C[6]C[6a]C[6])(CC[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]B[6]C){2|F<1>,7|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|B<3>,2|F<1>,8|C<3>}	C[6](B[6]C[6a]C[6])(C[6]C[6a]C[6])(CC[6a]2){7|C<3>}	120.8960	0.000	1	120.8960	0.000	1	120.8960	0.000	1	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]C){2|H<1>,4|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(COO){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cu)(C[6]C[6]C){2|H<1>,4|C<3>}	128.3880	0.000	1	128.3880	0.000	1	128.3880	0.000	1	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Cd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Cd)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	123.5430	0.000	1	123.5430	0.000	1	124.5060	0.489	4	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Mn)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	124.6110	0.000	1	124.6110	0.000	1	124.5060	0.489	4	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	125.2180	0.000	1	125.2180	0.000	1	124.5060	0.489	4	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:C[6]-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NHH){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Zn)(C[6]C[6]N){1|N<3>,2|H<1>,3|C<3>}	124.6520	0.000	1	124.6520	0.000	1	124.5060	0.489	4	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NNiC)	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N){1|Ni<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ni)(C[6]C[6]N){1|Ni<6>,1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]H)(NNiC){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	121.0620	0.000	1	121.0620	0.000	1	121.0620	0.000	1	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	119.3640	0.000	1	119.3640	0.000	1	119.3640	0.000	1	120.0505	13.073	42	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[5a,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]C)(COO)	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[5a,6]N[5a,6]N[5a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3){3|C<3>}	122.5120	0.000	1	122.5120	0.000	1	122.5120	0.000	1	119.7454	4.684	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6a]-3:C[6]-3:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C[6a])(C[6]N[6]C)(CCO){1|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|N<3>,3|H<1>,4|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){3|C<3>}	120.6577	0.219	3	120.6577	0.048	3	120.6577	0.048	3	119.7454	4.684	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CCH)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCC)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)2(CCH){1|Si<4>,2|H<1>}	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCC){1|C<3>,3|C<4>}	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CH3){2|C<3>,2|C<4>}	118.8720	0.000	1	118.8720	0.000	1	118.8720	0.000	1	119.7454	4.684	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	115.6095	0.018	2	115.6095	0.000	2	115.6095	0.000	2	119.7454	4.684	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<3>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|S<1>,2|C<3>}	119.2090	0.000	1	119.5933	0.155	3	119.5933	0.155	3	119.7454	4.684	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<4>,2|C<3>}	119.7855	0.298	2	119.5933	0.155	3	119.5933	0.155	3	119.7454	4.684	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,3|C<3>}	123.0690	0.000	1	123.0690	0.000	1	123.0690	0.000	1	119.7454	4.684	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(NTiC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)2(NTiC){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|C<3>}	119.9880	0.000	1	119.9880	0.000	1	119.9880	0.000	1	119.7454	4.684	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H)	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NC[3]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	120.7490	0.000	1	120.7490	0.000	1	121.9350	2.813	2	119.7454	4.684	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	123.1210	0.000	1	123.1210	0.000	1	121.9350	2.813	2	119.7454	4.684	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:N-3:	N-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH)	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH){1|C<3>,2|H<1>}	C[6](NC[6a]C[3])(C[6]C[6]N)(N[6]C[6]H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	119.1710	0.000	1	119.1710	0.000	1	119.1710	0.000	1	119.7454	4.684	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(NHH){1|C<4>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){2|C<3>,3|N<3>}	118.1085	0.378	2	118.1085	0.143	2	118.1085	0.143	2	119.7454	4.684	17	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	N[5,6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6]N[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(O)	C[6](C[6]N[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|O<1>,3|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(O){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	119.3795	0.228	2	119.3795	0.052	2	119.3795	0.052	2	118.8832	0.168	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H){1|C<4>,4|C<3>}	118.5815	0.006	2	118.5815	0.000	2	118.6350	0.017	4	118.8832	0.168	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO)	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(COO){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]N[6]CH)(H){1|C<4>,4|C<3>}	118.6885	0.197	2	118.6885	0.039	2	118.6350	0.017	4	118.8832	0.168	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	3:4:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:Si[6]-4:C[6a]-3:	C[6](C[6]C[6a]Si[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]Si[6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(Si[6]Si[6]CC)(C[6a]C[6a]2)	C[6](C[6]C[6a]Si[6])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[6a]Si[6])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|Si<4>,2|C<4>,2|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(Si[6]Si[6]CC)(C[6a]C[6a]2){2|C<4>,2|H<1>,6|C<3>}	123.7985	1.047	2	123.7985	1.097	2	123.7985	1.097	2	123.7985	1.097	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(CCC)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]O)(CCC){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	114.0580	0.000	1	114.0580	0.000	1	114.0580	0.000	1	116.8612	3.510	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO)	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(COO){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6a]N[6]H)(C[6]C[6a]C[6])(H){1|S<4>,6|C<3>}	117.9700	0.000	1	117.9700	0.000	1	117.7957	0.026	3	116.8612	3.510	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6a]2N[6])(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CC[6a]O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]2N[6])(C[6]C[6a]C[6])(H){9|C<3>}	117.7085	0.083	2	117.7085	0.007	2	117.7957	0.026	3	116.8612	3.510	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	4:3:2:	C[6]-3:C[6]-3:C-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(CCO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NS)	C[6](C[6]C[6a]N[6])(C[6]C[6]N)(CCO){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]H){1|C<4>,1|N<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NS){1|C<3>,1|N<3>,2|H<1>}	118.9480	0.000	1	118.9480	0.000	1	118.9480	0.000	1	118.9480	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:C-3:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]C)(COO)	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]C)(COO){2|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5])(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(COO){1|C<4>,1|H<1>,2|C<3>}	120.4730	0.000	1	120.4730	0.000	1	120.4730	0.000	1	121.5670	2.394	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	Si[6]-4:C[6]-3:C-3:	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H)	C[6](Si[6]C[6]CC)(C[6]C[6]C)(COO)	C[6](C[6]Si[6]C)(C[6]C[6]C)(COO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]H){1|Si<4>,2|C<3>}	C[6](Si[6]C[6]CC)(C[6]C[6]C)(COO){3|C<3>}	122.6610	0.000	1	122.6610	0.000	1	122.6610	0.000	1	121.5670	2.394	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	2:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(CCH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]O[6]O)(CCH){2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH){1|O<1>,1|O<2>,2|C<4>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|C<3>,3|C<4>}	116.3550	0.000	1	116.3550	0.000	1	116.3550	0.000	1	116.3550	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:S-1:	C[6](C[6]N[6]C)(C[6]N[6]S)(CCO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6])(S)	C[6](C[6]N[6]C)(C[6]N[6]S)(CCO){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6])(S){1|C<3>,1|C<4>,1|N<3>}	120.1570	0.000	1	120.1570	0.000	1	120.7690	0.749	2	120.5857	0.475	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:S-1:	C[6](C[6]N[6]C)(C[6]N[6]S)(COO)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6])(S)	C[6](C[6]N[6]C)(C[6]N[6]S)(COO){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,1|N<2>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6])(S){1|C<3>,1|C<4>,1|N<3>}	121.3810	0.000	1	121.3810	0.000	1	120.7690	0.749	2	120.5857	0.475	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:2:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(O[6]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]O[6]O){1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|O<1>,1|O<2>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[6])(O){1|C<4>,1|H<1>,4|C<3>}	120.2190	0.000	1	120.2190	0.000	1	120.2190	0.000	1	120.5857	0.475	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:2:3:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:C-3:	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]2)(C[6]C[6])(CHH)	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])(CHH){2|C<3>,2|C<4>}	120.0060	0.000	1	120.0060	0.000	1	120.0060	0.000	1	116.7047	0.492	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:N-3:	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH)	C[6](C[6]C[6a]C[6])(N[6]C[6])(NHH)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CCHH){1|N<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6])(NHH){1|C<4>,2|C<3>,2|N<3>}	116.6264	0.361	28	116.6264	0.131	28	116.6016	0.146	32	116.7047	0.492	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:2:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:N-3:	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N)	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH)	C[6](C[6]C[6a]C[6])(N[6]C[6])(NHH)	C[6](C[6a]C[6a]2)(C[6]N[6]C)(C[6]N[6]N){1|Cl<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]H)(CFHH){1|N<2>,2|C<3>,2|N<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6])(NHH){1|C<4>,2|C<3>,2|N<3>}	116.4275	0.534	4	116.4275	0.285	4	116.6016	0.146	32	116.7047	0.492	33	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]2)(C[6]C[6])(CH3)	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6])(CH3){1|C<4>,1|H<1>,3|C<3>}	118.6820	0.000	1	118.6820	0.000	1	118.6820	0.000	1	120.9695	3.331	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2(NZnC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C[6](C[6]C[6]N)(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)2(NZnC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(CCCH){1|C<3>,1|C<4>,1|H<1>}	122.5850	0.000	1	122.5850	0.000	1	122.5850	0.000	1	120.9695	3.331	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH)	C[6](C[6]C[6]C)2(N[5]C[5]2){1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6])(CCCH){1|C<4>,1|H<1>,3|C<3>}	123.6490	0.000	1	123.6490	0.000	1	123.6490	0.000	1	120.9695	3.331	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:2:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6a]C[6a]2)(C[6]N[6]C)2	C[6](C[6]C[6a]C[6])(N[6]S[6]C)(CH3)	C[6](C[6]C[6a]C[6])(N[6]S[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]N[6]C)2{1|C<4>,1|H<1>,1|S<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]S[6]C)(CH3){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6a]C[6])(N[6]S[6])(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	120.5205	0.022	2	120.5205	0.000	2	120.3003	0.146	3	120.9695	3.331	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:2:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6](C[6a]C[6a]2)(C[6]N[6]C)2	C[6](C[6]C[6a]C[6])(N[6]S[6]H)(CH3)	C[6](C[6]C[6a]C[6])(N[6]S[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]N[6]C)2{1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]S[6]H)(CH3){1|C<4>,1|N<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6a]C[6])(N[6]S[6])(CH3){1|C<4>,1|N<3>,2|C<3>,2|O<1>}	119.8600	0.000	1	119.8600	0.000	1	120.3003	0.146	3	120.9695	3.331	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>}	120.1590	0.000	1	120.1590	0.000	1	120.3310	0.059	2	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)2(CC[6a]HN)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	120.5030	0.000	1	120.5030	0.000	1	120.3310	0.059	2	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|C<4>}	121.7900	0.000	1	121.7900	0.000	1	119.7104	1.537	5	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	119.1905	0.497	4	119.1905	0.247	4	119.7104	1.537	5	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	P[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](P[6]C[6]Sm)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CHH){1|Sm<12>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](P[6]C[6]Sm)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	121.7360	0.000	1	121.7360	0.000	1	121.7360	0.000	1	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(COO)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(COO){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<4>}	118.0343	0.243	3	118.0343	0.059	3	118.0343	0.059	3	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	119.7050	0.000	1	119.7050	0.000	1	119.7050	0.000	1	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	117.2503	0.574	3	117.3723	0.170	6	120.9816	3.180	38	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|C<4>}	117.5315	0.309	2	117.3723	0.170	6	120.9816	3.180	38	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|C<4>}	117.4200	0.000	1	117.3723	0.170	6	120.9816	3.180	38	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|O<1>}	121.6040	0.883	30	121.6040	0.779	30	120.9816	3.180	38	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]N)(C[6]N[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|O<1>}	122.4160	0.000	1	122.4160	0.000	1	120.9816	3.180	38	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(NPdN)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NPdN){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|C<4>}	122.5300	0.000	1	122.5300	0.000	1	120.9816	3.180	38	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]Ti)	C[6](C[6]C[6]H)(C[6]C[6]N)(PTiCC)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]Ti){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(PTiCC){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|P<4>,2|C<3>}	116.5840	0.000	1	116.5840	0.000	1	116.5840	0.000	1	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|S<4>}	115.1550	0.339	2	115.1550	0.115	2	115.1550	0.115	2	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2){1|Rh<6>,1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]H)(H){2|C<3>,2|C<4>}	121.0670	0.000	1	121.0670	0.000	1	121.0670	0.000	1	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CO)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O){1|O<2>,2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CO){1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>}	121.0810	0.000	1	121.0810	0.000	1	120.4290	0.850	2	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]N[6]O){2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	119.7770	0.000	1	119.7770	0.000	1	120.4290	0.850	2	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CC[6a]HH)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CC[6a]HH){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H){1|C<4>,5|C<3>}	119.1940	0.000	1	119.1940	0.000	1	120.7554	5.551	7	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CH3)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CH3){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(H){1|C<4>,5|C<3>}	118.2750	0.000	1	118.2750	0.000	1	120.7554	5.551	7	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(CH3)	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|P<3>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(CH3){1|Cu<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(H){1|Cu<4>,1|C<4>,5|C<3>}	122.5907	0.345	4	122.5907	0.119	4	120.7554	5.551	7	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|Rh<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(H){1|Rh<6>,1|C<4>,3|C<3>}	117.4560	0.000	1	117.4560	0.000	1	120.7554	5.551	7	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(O){2|C<4>,3|C<3>}	120.4780	0.935	2	120.4780	0.874	2	120.4780	0.874	2	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6])(N[6]C[6]Ir)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|Ir<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6])(N[6]C[6]Ir)(H){1|C<4>,4|C<3>}	116.8030	0.000	1	116.8030	0.000	1	116.8030	0.000	1	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:In-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]In)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(InI3)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]In)(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(InI3){1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H){1|In<4>,3|C<3>}	120.2510	0.000	1	120.2510	0.000	1	120.2510	0.000	1	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:P[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(P[6]C[6]S)(SiC3)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]P[6]Si)(C[6]C[6]H){1|S<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(P[6]C[6]S)(SiC3){1|Si<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])2(H){2|Si<4>,1|P<3>,4|C<3>}	124.5485	0.214	2	124.5485	0.046	2	124.5485	0.046	2	120.4822	4.578	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(OH)	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>,2|N<2>}	117.4830	0.000	1	117.4830	0.000	1	117.4830	0.000	1	119.4441	1.303	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6a]C)(C[6]N[6]N)(COO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS)	C[6](C[6]C[6,6a]C)(C[6]N[6]N)(COO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(NS){1|C<4>,2|C<3>}	122.2590	0.000	1	122.2590	0.000	1	122.2590	0.000	1	119.4441	1.303	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]C)(OCo)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OCo){1|C<3>,1|C<4>,1|H<1>}	119.3310	0.000	1	119.3310	0.000	1	119.2480	0.599	8	119.4441	1.303	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]C)(OCu)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OCu){1|C<3>,1|C<4>,1|H<1>}	120.5100	0.000	1	120.5100	0.000	1	119.2480	0.599	8	119.4441	1.303	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>,1|H<1>}	118.6730	0.510	3	118.6730	0.260	3	119.2480	0.599	8	119.4441	1.303	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]C)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	118.9795	0.315	2	118.9795	0.099	2	119.2480	0.599	8	119.4441	1.303	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]C)(ONi)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]C)(ONi){1|C<3>,1|C<4>,1|H<1>}	120.1650	0.000	1	120.1650	0.000	1	119.2480	0.599	8	119.4441	1.303	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	119.4287	0.200	3	119.6230	0.178	4	119.6230	0.178	4	119.4441	1.303	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]N)(CN){2|C<4>,3|C<3>}	120.2060	0.000	1	119.6230	0.178	4	119.6230	0.178	4	119.4441	1.303	14	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6a]-3:C[6]-3:C-4:	N[5,6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6a]C)(C[6]N[5,6]C)(C[6a]C[6a]2)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(CH3)	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH)	C[6](C[6]C[6,6a]C)(C[6]N[5,6]C)(C[6a]C[6a]2){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6a]C[6])(CH3){1|H<1>,1|N<3>,5|C<3>}	C[6](N[5,6]C[5,6,6a]C[5])(C[6]C[6a]C[6])(CCH){2|C<4>,2|H<1>,4|C<3>}	122.5020	0.000	1	122.5020	0.000	1	122.5020	0.000	1	120.8684	0.870	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]CH){3|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])2(C[6a]C[6a]2){1|C<4>,3|H<1>,8|C<3>}	120.4600	0.218	4	120.4600	0.047	4	120.4600	0.047	4	120.8684	0.870	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CCO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CCO){1|H<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]H)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	120.8460	0.000	1	120.8460	0.000	1	121.4850	0.817	2	119.8296	2.295	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CNO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]C)(C[6]N[6]C)(CNO){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	122.1240	0.000	1	122.1240	0.000	1	121.4850	0.817	2	119.8296	2.295	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CHH)	C[6](C[6]C[6]C)2(CC[5]HH)	C[6](C[6]C[6]C)2(CC[5]HH)	C[6](C[6]C[6]C)2(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(CC[5]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CC[5]HH){1|C<3>,2|C<4>}	119.6485	0.057	2	119.6485	0.003	2	119.6485	0.003	2	119.8296	2.295	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-3:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(CHN)	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3)	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3)	C[6](C[6]N[6]C)2(CHN){1|B<4>,2|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,4|C<3>}	C[6](N[6]C[6a]B[6])(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,4|C<3>}	118.1320	0.000	1	118.1320	0.000	1	118.1320	0.000	1	119.8296	2.295	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(NCC){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	118.9760	0.458	2	118.9760	0.210	2	120.7648	4.339	6	119.8296	2.295	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)2(NCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	120.6435	0.120	2	120.6435	0.014	2	120.7648	4.339	6	119.8296	2.295	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(NC[6a]Fe)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)2(NC[6a]Fe){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	120.7070	0.000	1	120.7070	0.000	1	120.7648	4.339	6	119.8296	2.295	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]C)2(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]N)2(CH3){1|C<3>,1|C<4>,1|O<1>}	124.6430	0.000	1	124.6430	0.000	1	120.7648	4.339	6	119.8296	2.295	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,4|C<3>}	120.0970	0.000	1	120.0970	0.000	1	119.1433	0.556	10	119.8296	2.295	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CH3){1|C<4>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,4|C<3>}	119.9190	0.000	1	119.9190	0.000	1	119.1433	0.556	10	119.8296	2.295	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	118.0330	0.000	2	118.9271	0.445	8	119.1433	0.556	10	119.8296	2.295	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){2|C<4>,3|C<3>}	119.2252	0.444	6	118.9271	0.445	8	119.1433	0.556	10	119.8296	2.295	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[5,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH)	C[6](C[6]C[6a]C[6])(C[6]N[5,6]HH)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H){1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[5,6]N[5,6]C[5])(C[6]C[6a]C[6])(CCHH){1|H<1>,3|C<4>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[5,6]HH)(H){1|C<4>,4|C<3>}	119.9410	0.000	1	119.9410	0.000	1	119.9410	0.000	1	120.3920	0.407	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-4:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH)	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(O)	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]O){1|C<2>,2|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]HH){1|C<4>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CC)(O){1|C<4>,2|H<1>,3|C<3>}	120.8430	0.000	1	120.8430	0.000	1	120.8430	0.000	1	120.3920	0.407	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	3:4:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-4:S-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]S){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,1|S<4>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[6]HH)(SC[6a]OO){1|C<4>,4|C<3>}	117.4170	0.171	2	117.4170	0.029	2	117.4170	0.029	2	117.4170	0.029	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:4:	4:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH)	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H)	C[6](C[6]C[6]C)2(CCC){1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH){1|C<3>,1|C<4>}	C[6](C[6]O[6]HH)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>}	120.2110	0.000	1	120.2110	0.000	1	120.2110	0.000	1	120.2110	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:3:5:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-5:	C[6]-3:C[6]-2:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CPdCCH)	C[6](C[6]C[6a]C[6])(C[6]C[6])(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CPdCCH){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6])(H){1|C<5>,1|H<1>,3|C<3>}	118.5600	0.000	1	118.5600	0.000	1	118.5600	0.000	1	118.5600	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]O[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H)	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]O[6]O){2|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]CH)(H){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(O){1|C<4>,1|H<1>,4|C<3>}	118.4210	0.000	1	118.4210	0.000	1	118.4210	0.000	1	118.4210	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:3:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[5]S[5]2)(C[6]C[6]O)(C[6]N[6]O){2|H<1>,4|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,1|O<1>,2|S<2>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|S<2>}	119.8230	0.000	1	119.8230	0.000	1	119.8230	0.000	1	119.8230	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:4:1:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:O-1:	C[6](C[5]N[5,6a]C[5])(C[6]C[6]O)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]N[5,6a]C[5])(C[6]C[6]O)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	122.7890	0.000	1	122.7890	0.000	1	122.7890	0.000	1	118.9845	6.456	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:4:1:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(N[6]C[6]2){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(H){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(O){3|C<4>,3|H<1>}	119.0410	0.000	1	119.0410	0.000	1	119.0410	0.000	1	118.9845	6.456	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]SiC)(O)	C[6](C[6a]C[5a,6a]C[6a])(C[6]C[6]H)(C[6]C[6]O){1|Si<4>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]SiC)(O){1|C<4>,2|C<3>,3|H<1>}	114.9260	0.000	1	114.9260	0.000	1	118.0192	4.691	4	118.9845	6.456	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|N<3>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	119.9340	0.000	1	119.9340	0.000	1	118.0192	4.691	4	118.9845	6.456	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:1:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){2|C<3>,2|C<4>,2|H<1>}	118.6085	0.381	2	118.6085	0.145	2	118.0192	4.691	4	118.9845	6.456	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:C[6]-4:O-1:	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]O)2{1|C<4>,1|N<3>,3|C<3>,4|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	119.1210	0.000	1	119.1210	0.000	1	119.3995	0.155	2	119.1335	1.508	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:C[6]-4:O-1:	C[6](C[5a]C[5a]2)(C[6]C[6]O)2	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O)	C[6](C[5a]C[5a]2)(C[6]C[6]O)2{1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(OH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[5a]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	119.6780	0.000	1	119.6780	0.000	1	119.3995	0.155	2	119.1335	1.508	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:2:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]O)2	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(OC){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){1|O<2>,2|C<3>,3|C<4>}	117.4380	0.000	1	117.4380	0.000	1	117.4380	0.000	1	119.1335	1.508	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:2:	3:4:1:	N[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:C[6]-4:O-1:	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(O)	C[6](N[5a]C[5a]N[5a])(C[6]C[6]O)2{1|C<4>,2|C<3>,5|H<1>}	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(OH){1|C<4>,1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]N[5a]C[6])(C[6]C[6]HH)(O){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|C<3>}	120.2970	0.000	1	120.2970	0.000	1	120.2970	0.000	1	119.1335	1.508	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(NCH)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N)	C[6](C[6]C[6]N)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(NCH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]N){1|C<4>,1|O<1>,1|O<2>,2|H<1>,3|C<3>}	C[6](C[6]C[6]N)(O[6]C[6])(O){2|C<3>,2|C<4>}	120.8315	0.040	2	120.8315	0.002	2	120.8315	0.002	2	120.8315	0.002	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	121.2060	0.000	1	121.2060	0.000	1	124.1440	10.736	4	122.1633	16.077	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	121.4090	0.000	1	121.4090	0.000	1	124.1440	10.736	4	122.1633	16.077	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NOO)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]N)(O){1|C<4>,1|H<1>,3|C<3>}	126.9805	0.057	2	126.9805	0.003	2	124.1440	10.736	4	122.1633	16.077	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCH)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCH){1|H<1>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(H){1|C<4>,3|C<3>}	118.2020	1.051	2	118.2020	1.104	2	118.2020	1.104	2	122.1633	16.077	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5a]H)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NC[5a]H){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	117.8470	0.000	1	117.8470	0.000	1	119.4523	2.028	3	119.4523	2.028	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NHH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6a]C[6a]2)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NHH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){1|N<3>,2|C<3>,3|C<4>}	120.2550	0.437	2	120.2550	0.191	2	119.4523	2.028	3	119.4523	2.028	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:4:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:N-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NO)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]N){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCO){1|C<4>,1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(NO){1|C<4>,2|H<1>,3|C<3>}	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	119.5380	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:3:	3:4:3:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-4:C-3:	C[6]-3:C[6]-4:C-3:	C[6](C[6]C[6]C)2(N[6]C[6]2)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH)	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH)	C[6](C[6]C[6]C)2(N[6]C[6]2){3|C<4>,8|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6]N[6])(C[6]C[6]HH)(CCH){1|C<3>,2|H<1>,3|C<4>}	122.0950	0.653	2	122.0950	0.427	2	122.0950	0.427	2	122.0950	0.427	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:4:	3:2:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]O[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3)	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(O)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]O[6]O){1|C<4>,1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(CH3){1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6a]C[6])(O[6]C[5,6])(O){2|C<4>,4|C<3>}	120.4880	0.000	1	120.4880	0.000	1	120.4880	0.000	1	120.4880	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:P[6]-4:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6]C[6a]C[6])(P[6]C[6]CU)(PC[6a]2S)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|C<4>,1|U<8>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(P[6]C[6]CU)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6a]C[6])2(H){3|P<4>,4|C<3>}	122.7710	0.289	4	122.4968	0.479	8	122.4635	0.255	19	122.4635	0.255	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:P[6]-4:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6]C[6a]C[6])(P[6]C[6]CU)(PC[6a]2S)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|U<15>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(P[6]C[6]CU)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6a]C[6])2(H){3|P<4>,4|C<3>}	122.4325	1.494	2	122.4968	0.479	8	122.4635	0.255	19	122.4635	0.255	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:P[6]-4:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6]C[6a]C[6])(P[6]C[6]CU)(PC[6a]2S)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|U<16>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(P[6]C[6]CU)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6a]C[6])2(H){3|P<4>,4|C<3>}	122.0125	0.306	2	122.4968	0.479	8	122.4635	0.255	19	122.4635	0.255	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:P[6]-4:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6]C[6a]C[6])(P[6]C[6]MnC)(PC[6a]2S)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Mn<6>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(P[6]C[6]MnC)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6a]C[6])2(H){3|P<4>,4|C<3>}	122.3310	0.045	2	122.3310	0.002	2	122.4635	0.255	19	122.4635	0.255	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:P[6]-4:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6]C[6a]C[6])(P[6]C[6]PdC)(PC[6a]2S)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Pd<4>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(P[6]C[6]PdC)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6a]C[6])2(H){3|P<4>,4|C<3>}	122.6355	0.363	4	122.6355	0.132	4	122.4635	0.255	19	122.4635	0.255	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:P[6]-4:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P)	C[6](C[6]C[6a]C[6])(P[6]C[6]RhC)(PC[6a]2S)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]P[6]P){1|Rh<6>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(P[6]C[6]RhC)(PC[6a]2S){1|H<1>,1|P<4>,3|C<3>}	C[6](C[6]C[6a]C[6])2(H){3|P<4>,4|C<3>}	122.3256	0.380	5	122.3256	0.144	5	122.4635	0.255	19	122.4635	0.255	19	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:4:	3:4:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:O-1:	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH)	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O)	C[6](C[6a]C[5,6a]C[6a])(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|N<3>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(CCCH){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6a]C[6])(C[6]C[6]HH)(O){2|C<3>,4|C<4>}	118.8040	0.000	1	118.8040	0.000	1	118.8040	0.000	1	118.8040	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	3:4:4:	3:4:3:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:C-4:	C[6]-3:C[6]-4:C-3:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH)	C[6](C[6]C[6a]C[6])(C[6]O[6]HN)(CHH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,1|O<2>,2|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HH)(CCHH){1|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]O[6]HN)(CHH){2|C<3>,2|C<4>}	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	120.0110	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(COO)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(COO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	119.8645	0.226	2	119.8645	0.051	2	119.8645	0.051	2	117.3675	15.571	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]O)(C[6]O[6]O)(CC[6]H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]O)(C[6]O[6]O)(CC[6]H){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|H<1>,1|O<1>,2|C<4>}	111.5750	0.000	1	111.5750	0.000	1	111.5750	0.000	1	117.3675	15.571	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(NCC)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(NCC){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]N)(H){1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]N)(O[6]C[6])(O){1|C<4>,3|H<1>}	118.1660	0.000	1	118.1660	0.000	1	118.1660	0.000	1	117.3675	15.571	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH)	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(Br)	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH){1|Pd<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]C)(H){1|Br<1>,1|C<3>,3|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(Br){1|Pd<7>,1|H<1>,2|C<4>}	116.6830	0.000	1	116.8510	0.056	2	116.8510	0.056	2	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH)	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(Br)	C[6](C[6]C[5,6]H)(C[6]C[6]Br)(CCH){1|Pd<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Pd)(C[6]C[6]C)(H){1|Br<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(Br){1|Pd<7>,1|H<1>,2|C<4>}	117.0190	0.000	1	116.8510	0.056	2	116.8510	0.056	2	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCN)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCN){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	119.7633	0.042	3	119.7633	0.002	3	119.7116	0.006	5	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCO)	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCO){1|C<4>,1|H<1>,2|C<3>}	C[6](C[5,6]C[5,6a]C[5,6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	119.6340	0.013	2	119.6340	0.000	2	119.7116	0.006	5	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CCH){1|Cr<9>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|Cr<9>,1|H<1>,2|C<4>}	117.8097	0.775	3	117.8097	0.601	3	117.8097	0.601	3	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	119.0500	0.284	2	119.0500	0.081	2	119.0500	0.081	2	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]N){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	119.2300	0.000	1	119.2300	0.000	1	119.2300	0.000	1	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]N[6]O)(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]N[6]O)(CNO){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,3|H<1>}	119.8180	0.000	1	119.8180	0.000	1	119.8180	0.000	1	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5]H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,2|O<1>}	118.4420	0.000	1	118.4420	0.000	1	117.7555	0.943	2	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]H){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,2|O<1>}	117.0690	0.000	1	117.0690	0.000	1	117.7555	0.943	2	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6a]C[6])(O)	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(C[6a]C[6a]2){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6,6]C[5a,6]N[6,6]C[6])(C[6]C[6a]C[6])(O){1|H<1>,1|N<2>,1|N<3>,6|C<3>}	C[6](C[6,6]N[6,6]C[6])(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|O<1>,4|C<3>}	118.1460	0.000	1	118.1460	0.000	1	118.1460	0.000	1	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[3,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]N)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]N)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(NCH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[3,6]O)(C[6]C[6]N)(H){1|C<4>,1|O<1>,2|O<2>}	122.5150	0.133	2	122.5150	0.018	2	122.5150	0.018	2	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NCC)	C[6](C[6]N[6]HP)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(NCC){1|N<3>,1|P<4>,2|H<1>}	C[6](C[6]N[6]HP)(C[6]C[6]N)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]N[6]H)(H){1|Si<4>,1|C<4>,1|H<1>}	119.2580	0.000	1	119.2580	0.000	1	119.4030	0.042	2	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NC[6a]2)	C[6](C[6]C[6]AgH)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NC[6a]2){1|Ag<5>,1|C<3>,2|H<1>}	C[6](C[6]C[6]AgH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<4>}	119.5480	0.000	1	119.5480	0.000	1	119.4030	0.042	2	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:S-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]N[6]O)(SCC)	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	C[6](C[6]C[6]S)(N[6]C[6]C)(O)	C[6](C[6]C[6]O)(C[6]N[6]O)(SCC){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]S)(N[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	124.2950	0.000	1	124.3490	0.006	2	124.3490	0.006	2	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:S-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]N[6]O)(SCC)	C[6](C[6]C[6]HH)(C[6]C[6]S)(O)	C[6](C[6]C[6]S)(N[6]C[6]C)(O)	C[6](C[6]C[6]O)(C[6]N[6]O)(SCC){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]S)(O){1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	124.4030	0.000	1	124.3490	0.006	2	124.3490	0.006	2	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)2	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)2{2|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(H){2|H<1>,6|C<3>}	C[6](C[6]C[6a]C[6])2(H){1|C<4>,2|H<1>,5|C<3>}	119.4670	0.000	1	119.4670	0.000	1	119.4670	0.000	1	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(O)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,2|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(O){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6]C[6a]C[6])2(H){1|O<1>,2|C<4>,4|C<3>}	119.1280	0.000	1	119.1280	0.000	1	119.1280	0.000	1	119.5049	4.128	25	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	118.4645	0.292	2	118.4645	0.085	2	118.1623	0.317	3	118.6463	0.883	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CCO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,2|O<2>}	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	117.5580	0.000	1	117.5580	0.000	1	118.1623	0.317	3	118.6463	0.883	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:2:	C[6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]N[5,6]N)(CN)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|C<3>,2|N<3>,3|H<1>}	C[6](C[5,6]N[5,6]C[5]H)(C[6]C[6a]C[6])(H){1|C<4>,1|H<1>,1|N<3>,2|C<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]N[5,6]N)(CN){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	120.2470	0.000	1	120.2470	0.000	1	120.2470	0.000	1	118.6463	0.883	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]N)(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6a]C[6])(H){1|C<2>,1|C<4>,6|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]N)(CN){1|H<1>,2|C<4>,3|C<3>}	119.0740	0.000	1	119.0740	0.000	1	118.5720	0.504	2	118.6463	0.883	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:2:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]2N[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CN)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]C[6a]2N[6])(C[6]C[6a]C[6])(H){1|C<2>,1|H<1>,7|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CN){1|C<4>,2|H<1>,4|C<3>}	118.0700	0.000	1	118.0700	0.000	1	118.5720	0.504	2	118.6463	0.883	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCC){1|C<4>,1|S<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]S)(CSiH){1|C<4>,3|H<1>}	121.3310	0.252	2	121.3310	0.063	2	121.3310	0.063	2	119.9904	1.777	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	Si[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCC)	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(CCH)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCC){1|C<3>,3|C<4>}	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]C)(H){4|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CCH){1|Si<4>,2|H<1>}	122.0210	0.000	1	122.0210	0.000	1	121.6065	0.344	2	119.9904	1.777	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-3:	Si[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCH)	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CCH){1|C<3>,1|H<1>,2|C<4>}	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]C)(H){4|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[3]H){1|Si<4>,2|H<1>}	121.1920	0.000	1	121.1920	0.000	1	121.6065	0.344	2	119.9904	1.777	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6]H)(C[6]C[6]N)(NRuH)	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(NRuH)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(NRuH){1|Ru<11>,1|H<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Ru)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]N)(NRuH){1|Ru<11>,1|H<1>,2|C<4>}	119.0048	0.434	6	119.0048	0.188	6	119.0048	0.188	6	119.9904	1.777	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(CH3){1|C<4>,1|O<1>,2|H<1>}	117.2780	0.000	1	117.2780	0.000	1	117.2780	0.000	1	121.5627	13.888	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO)	C[6](C[6]C[6]HN)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)2(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]HN)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]N)2(SO3){1|C<4>,2|H<1>}	123.7050	0.489	2	123.7050	0.239	2	123.7050	0.239	2	121.5627	13.888	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(O)	C[6](C[6]C[5,6]H)(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,3|H<1>,4|C<3>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6a]C[6])(H){1|C<4>,1|N<3>,2|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]CH)(O){1|C<4>,2|C<3>,3|H<1>}	120.3050	0.000	1	120.3050	0.000	1	120.3050	0.000	1	120.3050	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:Br-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHO){2|C<4>,3|O<2>}	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,1|H<1>}	119.8500	0.000	2	119.8500	0.000	2	119.8500	0.000	2	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){2|O<1>,4|C<4>}	117.2240	0.000	1	117.2240	0.000	1	117.2240	0.000	1	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCO){1|C<3>,1|C<4>,1|H<1>,2|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	119.7230	0.000	1	119.7230	0.000	1	120.0163	1.665	6	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CNO){1|C<3>,1|C<4>,1|H<1>,1|N<4>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HN)(C[6]C[6]C)(O){1|H<1>,1|O<1>,2|C<4>}	120.0750	1.433	5	120.0750	2.055	5	120.0163	1.665	6	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC)	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCC){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6]O)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	118.1580	0.000	1	118.1580	0.000	1	118.1580	0.000	1	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	118.1850	0.000	1	118.1850	0.000	1	119.3849	1.118	12	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	119.2750	0.000	1	119.2750	0.000	1	119.3849	1.118	12	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	118.2730	0.000	1	118.2730	0.000	1	119.3849	1.118	12	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[5a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[5a]N){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	119.4970	0.501	3	119.4970	0.251	3	119.3849	1.118	12	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<1>,2|H<1>}	119.7020	0.000	1	120.9685	3.208	2	119.3849	1.118	12	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6a]H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	122.2350	0.000	1	120.9685	3.208	2	119.3849	1.118	12	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]N)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6a]N){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	119.0473	0.500	3	119.0473	0.250	3	119.3849	1.118	12	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CSS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CSS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<1>,3|C<4>}	119.3160	0.000	1	119.3160	0.000	1	119.3849	1.118	12	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)2{1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|O<1>,2|C<3>,3|C<4>}	117.5790	0.751	5	117.5790	0.564	5	118.2976	1.321	8	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(C[6]N[6]2)	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6]O)2(C[6]N[6]2){1|C<4>,2|C<3>,6|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|O<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|O<1>,2|N<3>,3|C<4>}	119.4953	0.230	3	119.4953	0.053	3	118.2976	1.321	8	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(C[6a]C[6a]2)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H)	C[6](C[6]C[5,6]H)(C[6]C[5,6]O)(C[6a]C[6a]2){1|C<4>,1|N<3>,2|C<3>,2|O<2>,3|H<1>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H){1|O<1>,2|C<3>,2|C<4>}	117.7095	0.029	2	117.7095	0.001	2	117.7095	0.001	2	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(NC[6a]H){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]N)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]N)(O){1|H<1>,3|C<4>}	119.1535	0.718	4	119.1535	0.516	4	119.1535	0.516	4	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(H)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(O)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(H){1|C<3>,1|C<4>,1|N<2>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(O){1|C<3>,1|H<1>,1|N<2>,2|C<4>}	117.8505	0.110	2	117.8505	0.012	2	117.8505	0.012	2	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O)	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O)	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H)	C[6](C[6a]C[6a]N[6a])(C[6]C[5,6]H)(C[6]C[5,6]O){1|C<4>,1|N<3>,2|C<3>,2|H<1>,2|O<2>}	C[6](C[5,6]O[5,6]C[5]H)(C[6]C[6a]C[6])(O){1|C<3>,1|C<4>,1|N<2>,1|O<2>,3|H<1>}	C[6](C[5,6]O[5,6]O[5]H)(C[6]C[6a]C[6])(H){1|C<3>,1|N<2>,1|O<1>,2|C<4>}	117.8610	0.000	1	117.8610	0.000	1	117.8610	0.000	1	118.9686	1.473	39	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){2|C<4>,2|H<1>,2|O<1>}	119.6840	0.000	1	119.6840	0.000	1	119.0103	0.352	3	119.5643	0.608	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|O<1>,4|C<4>}	118.6735	0.149	2	118.6735	0.022	2	119.0103	0.352	3	119.5643	0.608	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	C[6](C[6]C[6]O)2(CCO){1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<4>,2|O<1>}	120.6390	0.000	1	120.6390	0.000	1	120.1183	0.249	3	119.5643	0.608	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]O)2(CCO){1|C<3>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<4>,2|O<1>}	119.8580	0.301	2	119.8580	0.091	2	120.1183	0.249	3	119.5643	0.608	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CCO){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|O<2>}	118.3930	0.000	1	118.3930	0.000	1	118.3930	0.000	1	119.6070	2.948	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(C[6]N[6]O){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<3>,1|C<4>,1|N<3>,1|O<1>,2|H<1>}	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	120.8210	0.000	1	120.8210	0.000	1	120.8210	0.000	1	119.6070	2.948	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:S-2:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[5,6]S)(CC[6a]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(SC[6a])	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[5,6]S)(CC[6a]O){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(SC[6a]){1|O<1>,2|C<4>,4|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(O){1|S<2>,2|C<4>,4|H<1>}	119.6880	0.000	1	119.6880	0.000	1	119.6880	0.000	1	119.9139	2.601	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6,6]-4:C[6]-3:O-2:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)2(CC[6a]O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)2(CC[6a]O){1|C<3>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OH){2|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,4|C<4>}	118.4935	1.059	2	118.4935	1.121	2	118.4935	1.121	2	119.9139	2.601	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCO){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	118.8940	0.000	1	118.8940	0.000	1	119.3683	0.128	4	119.9139	2.601	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	119.5225	0.292	2	119.5225	0.085	2	119.3683	0.128	4	119.9139	2.601	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CNO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CNO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	119.5340	0.000	1	119.5340	0.000	1	119.3683	0.128	4	119.9139	2.601	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:S-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(CC[6a]O)	C[6](C[6]C[6]CH)(C[6]C[6]C)(SC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(CC[6a]O){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(SC){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|S<2>}	122.1840	0.000	1	122.1840	0.000	1	122.1840	0.000	1	119.9139	2.601	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:S-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC)	C[6](C[6]C[6]HH)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(NCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(SC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(O){1|C<4>,1|S<2>,2|H<1>}	122.8930	0.000	1	122.8930	0.000	1	122.8930	0.000	1	119.9139	2.601	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:2:	4:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|N<2>,2|H<1>}	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	118.0850	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(C[6]O[6]O)(COO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<4>,1|H<1>,2|C<3>}	118.9130	0.457	2	118.9130	0.209	2	118.9130	0.209	2	118.9130	0.209	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[5a]-3:C[6]-3:C[6]-3:	C[4,5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O)	C[6](C[4,5]C[4,5]O[4]O[5])(C[6]C[5a]C[6])(C[6]C[6]H)	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O)	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[4,5]C[4,5]O[4]O[5])(C[6]C[5a]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	C[6](C[6]C[5a]C[6])(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>,1|N<2>,1|S<2>}	116.3470	0.000	1	116.3470	0.000	1	116.3470	0.000	1	119.0136	1.606	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH)	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|O<2>}	120.1423	0.473	3	120.1423	0.223	3	120.1423	0.223	3	119.0136	1.606	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(CCO)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH)	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6,6]H)(CCO){1|C<3>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(CHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[5,6,6]C[6])(C[6]C[6]C)(H){1|C<3>,6|C<4>}	119.5730	0.000	1	119.5730	0.000	1	119.5730	0.000	1	119.0136	1.606	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO){1|H<1>,2|C<4>,3|C<3>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(C[6]C[6]C){1|H<1>,3|C<4>,6|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){2|C<3>,2|C<4>}	119.4600	0.071	2	119.4600	0.005	2	119.4600	0.005	2	119.0136	1.606	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CC[6a]O){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){2|C<4>,4|C<3>}	118.8230	0.000	1	118.8230	0.000	1	118.8230	0.000	1	119.0136	1.606	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH)	C[6](C[6]C[6]RuH)(C[6]C[6]C)(NC[6a]P)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCH){1|Ru<8>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]RuH)(C[6]C[6]C)(NC[6a]P){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.0230	0.598	2	118.0230	0.358	2	118.0230	0.358	2	119.0136	1.606	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(NHH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|N<3>,1|O<1>}	117.5900	0.247	3	117.5900	0.061	3	117.5900	0.061	3	118.4767	3.186	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:2:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]N)(CN)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(COO){1|C<4>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6a]C[6]H)(C[6a]C[6a]2)(C[6]C[6]C){2|H<1>,3|C<2>,5|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(CN){1|C<3>,1|C<4>,2|C<2>}	121.1370	0.000	1	121.1370	0.000	1	121.1370	0.000	1	118.4767	3.186	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO)	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)(C[6]N[6]C)(COO)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(COO){1|N<3>,3|C<3>}	C[6](C[5,6]C[5,6a]C[5]N[6])(C[6]C[6]C)(COO){1|N<3>,1|O<1>,5|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(COO){1|C<4>,2|C<3>}	120.4850	0.000	1	120.4850	0.000	1	120.4850	0.000	1	115.5932	25.702	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCC)	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCC){3|C<3>}	C[6](C[6]C[6]C)2(CCC){1|C<4>,2|C<3>}	110.1045	0.322	2	110.1045	0.104	2	114.3702	24.299	4	115.5932	25.702	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]C)2(CCC){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){3|C<3>}	C[6](C[6]C[6]C)2(CCC){1|C<4>,2|C<3>}	118.6360	0.079	2	118.6360	0.006	2	114.3702	24.299	4	115.5932	25.702	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH)	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(CCH){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	118.1265	0.272	2	118.1265	0.074	2	118.1265	0.074	2	118.1265	0.074	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-3:C[6]-4:H-1:	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(CCH)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H)	C[6](C[6]C[5,6]C)(C[6a]C[6a]2)(C[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(CCH){2|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(H){1|H<1>,2|C<4>,3|C<3>}	121.5300	0.000	1	121.5300	0.000	1	121.5300	0.000	1	121.1915	0.229	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	3:4:1:	C[6]-3:C[6a]-3:C[6]-3:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6]-3:C[6]-4:O-1:	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(O)	C[6](C[6]C[5,6]C[6a])(C[6a]C[6a]2)(C[6]C[6]O){2|C<4>,4|C<3>,5|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[6]C[6a]C[6])(C[6]C[5,6]HH)(O){1|H<1>,2|C<4>,3|C<3>}	120.8530	0.000	1	120.8530	0.000	1	120.8530	0.000	1	121.1915	0.229	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC){2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	111.4950	0.000	1	111.4950	0.000	1	111.4575	0.003	2	115.4118	10.885	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CCC){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCC){1|N<3>,1|O<1>,2|C<4>,3|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	111.4200	0.000	1	111.4200	0.000	1	111.4575	0.003	2	115.4118	10.885	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]C){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	120.5730	0.000	1	120.5730	0.000	1	116.8817	1.709	10	115.4118	10.885	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CSS){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	116.4716	0.175	9	116.4716	0.030	9	116.8817	1.709	10	115.4118	10.885	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC)	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<1>,2|H<1>,5|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]2)(O){1|C<3>,5|C<4>}	111.2945	1.102	2	111.2945	1.215	2	111.2945	1.215	2	115.4118	10.885	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6]-3:	C[6,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(CCC)	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]2)(C[6]C[6]O){4|C<4>,7|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]2)(CCC){1|N<3>,1|O<1>,3|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]2)(O){1|C<3>,1|H<1>,4|C<4>}	110.7100	0.000	1	110.7100	0.000	1	110.7100	0.000	1	115.4118	10.885	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C[6a]-3:	C[5,6]-4:C[6]-3:C[6a]-3:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]2)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6a]C[6])(O)	C[6](C[6]C[5,6]C[6a])(C[6]C[6,6]O)(C[6a]C[6a]2){3|C<4>,4|C<3>,4|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|N<3>,1|O<1>,2|C<4>,4|C<3>,5|H<1>}	C[6](C[6,6]C[5,6,6]C[6]H)(C[6]C[6a]C[6])(O){3|C<3>,3|C<4>,3|H<1>}	121.5580	0.000	1	121.5580	0.000	1	121.5580	0.000	1	115.4118	10.885	16	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(COO)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(COO){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O){1|O<2>,2|C<4>}	120.5980	0.000	1	120.5980	0.000	1	120.5980	0.000	1	120.1112	0.277	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO)	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCO){1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]N[6]CH)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|S<4>,2|C<4>}	119.3840	0.000	1	119.3840	0.000	1	119.8760	0.484	2	120.1112	0.277	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(COO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(COO){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|H<1>,1|O<2>,2|C<4>}	120.3680	0.000	1	120.3680	0.000	1	119.8760	0.484	2	120.1112	0.277	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:4:	3:3:1:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3)	C[6](C[6]C[6a]C[6])2(H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,2|O<2>,5|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6a]C[6])(CH3){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6a]C[6])2(H){1|O<1>,2|C<4>,4|C<3>}	120.0950	0.000	1	120.0950	0.000	1	120.0950	0.000	1	120.1112	0.277	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(NNiC)	C[6](C[6]C[6]NiH)(C[6]C[6]N)(CCCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C[6](C[6]C[6]C)2(NNiC){1|Ni<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]N)(CCCH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|Ni<4>,1|H<1>,2|C<4>}	120.1950	0.000	1	120.1950	0.000	1	120.1950	0.000	1	120.1005	0.018	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:4:	3:3:4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CCCH)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|Pd<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6a]C[6]Pd)(C[6]C[6a]C[6])(CCCH){2|C<4>,5|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){2|C<3>,3|C<4>}	120.0060	0.000	1	120.0060	0.000	1	120.0060	0.000	1	120.1005	0.018	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]C)(C[6]C[6]O)(CC[6,6]H){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){4|C<4>}	119.8620	0.000	1	119.8620	0.000	1	119.8620	0.000	1	120.6290	2.522	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCH){2|C<4>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	119.5700	0.000	1	119.5700	0.000	1	119.5700	0.000	1	120.6290	2.522	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCO)	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCO){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	122.4550	0.000	1	122.4550	0.000	1	122.4550	0.000	1	120.6290	2.522	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:4:	4:3:2:	C[6]-3:C[6]-3:N-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(NOO)	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(NOO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(CH3){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(NN){2|C<4>,2|H<1>}	126.7060	0.000	1	126.7060	0.000	1	126.7060	0.000	1	126.7060	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:3:4:	4:3:3:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:S-4:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]S)(CCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(SC[6a]OO){1|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCH){1|S<4>,3|C<4>}	118.6220	0.000	1	118.6220	0.000	1	118.6220	0.000	1	118.6220	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	4:4:3:	3:3:1:	C[6]-3:C[6]-3:C-3:	C[5,6]-4:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(CCO){2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]2H)(C[6]C[6]C){2|H<1>,3|C<4>,6|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<3>,3|C<4>}	119.2270	0.000	1	119.2270	0.000	1	119.2270	0.000	1	119.2270	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	5:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[3x3,4,3x5,15x6]-5:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[3x3,4,3x5,15x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]B[4x3,4,5x5,22x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[3x3,4,3x5,15x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,4|B<6>,7|C<3>}	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<5>,5|B<6>,5|H<1>,6|C<3>}	C[6](C[6]B[4x3,4,5x5,22x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<5>,2|H<1>,3|B<6>,7|C<3>}	123.9060	0.000	1	123.9060	0.000	1	123.9060	0.000	1	123.9060	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	5:3:4:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	C[3x3,4,3x5,15x6]-5:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(CCHH)	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|B<6>,4|C<3>}	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6a]C[6])(CCHH){1|C<5>,3|H<1>,4|C<3>,5|B<6>}	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,2|C<5>,2|H<1>,3|B<6>,4|C<3>}	123.9410	0.000	1	123.9410	0.000	1	123.9410	0.000	1	123.9410	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	6:3:3:	3:3:1:	C[6]-3:C[6a]-3:C[6]-3:	C[5x3,5x5,20x6]-6:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6a]C[6a]2)(C[6]C[6]H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6a]C[6])(N[6]C[6]Pt)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5x3,5x5,20x6]N[6])(C[6a]C[6a]2)(C[6]C[6]H){1|Pt<4>,1|C<6>,3|C<3>,3|H<1>,4|B<6>}	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6a]C[6])(N[6]C[6]Pt){1|C<4>,4|C<3>,4|H<1>,5|B<6>}	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(H){1|C<6>,1|N<3>,3|C<3>}	115.9520	0.000	1	115.9520	0.000	1	115.9520	0.000	1	115.9520	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	6:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	B[4x3,4,5x5,22x6]-6:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]B[4x3,4,5x5,22x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]C[3x3,4,3x5,15x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]B[4x3,4,5x5,22x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<5>,2|H<1>,3|B<6>,7|C<3>}	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,5|B<6>,5|H<1>,6|C<3>}	C[6](C[6]C[3x3,4,3x5,15x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|H<1>,4|B<6>,7|C<3>}	123.5890	0.000	1	123.5890	0.000	1	123.5890	0.000	1	124.4864	0.362	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	6:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	B[5x3,5x5,21x6]-6:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<6>,2|H<1>,3|B<6>,7|C<3>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]2B[5x3,5x5,21x6]C[5x3,5x5,20x6]2)(C[6]C[6a]C[6])(C[6a]C[6a]2){5|B<6>,6|C<3>,6|H<1>}	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<6>,2|H<1>,4|B<6>,7|C<3>}	124.7680	0.569	2	124.7680	0.323	2	124.7108	0.147	4	124.4864	0.362	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	6:3:3:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	B[5x3,5x5,21x6]-6:C[6]-3:C[6a]-3:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<6>,2|H<1>,4|B<6>,7|C<3>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<6>,4|B<6>,6|C<3>,6|H<1>}	C[6](C[6]B[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(C[6a]C[6a]2){2|C<6>,2|H<1>,3|B<6>,7|C<3>}	124.6535	0.323	2	124.6535	0.104	2	124.7108	0.147	4	124.4864	0.362	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	6:3:4:	3:3:3:	C[6]-3:C[6]-3:C[6a]-3:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6a]-3:	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(CCHH)	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2)	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,2|C<5>,2|H<1>,3|B<6>,4|C<3>}	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6a]C[6])(CCHH){1|C<4>,3|H<1>,4|C<3>,5|B<6>}	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6a]C[6])(C[6a]C[6a]2){1|C<4>,2|H<1>,4|B<6>,4|C<3>}	124.4970	0.000	1	124.4970	0.000	1	124.4970	0.000	1	124.4970	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	6:3:4:	3:3:4:	C[6]-3:C[6a]-3:C[6]-3:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH)	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){2|C<6>,2|H<1>,3|B<6>,3|C<3>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH){2|C<4>,3|C<3>,3|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	122.9565	0.047	2	122.9565	0.002	2	122.9565	0.002	2	123.8390	1.232	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	6:3:4:	3:3:4:	C[6]-3:C[6a]-3:C[6]-3:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CCHH){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	123.7520	0.000	1	123.7520	0.000	1	123.8050	0.006	2	123.8390	1.232	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	6:3:4:	3:3:4:	C[6]-3:C[6a]-3:C[6]-3:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CH3)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(CH3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	123.8580	0.000	1	123.8580	0.000	1	123.8050	0.006	2	123.8390	1.232	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:3:	6:3:4:	3:3:4:	C[6]-3:C[6a]-3:C[6]-3:	C[5x3,5x5,21x6]-6:C[6]-3:Si-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(SiC3)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH)	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6a]C[6])(SiC3){1|C<4>,3|C<3>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH){1|Si<4>,1|C<6>,2|C<3>,4|B<6>}	125.6720	0.000	1	125.6720	0.000	1	125.6720	0.000	1	123.8390	1.232	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Mg<4>,1|C<2>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Mg<4>,1|C<2>,1|H<1>}	112.4910	0.000	1	112.4910	0.000	1	114.0885	5.104	2	118.2094	10.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CNiHH)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CNiHH){1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	115.6860	0.000	1	115.6860	0.000	1	114.0885	5.104	2	118.2094	10.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]CH)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]CH){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	120.5800	0.000	1	120.5800	0.000	1	120.5513	0.114	3	118.2094	10.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[6a]HH)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[6a]HH){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	120.2010	0.000	1	120.2010	0.000	1	120.5513	0.114	3	118.2094	10.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CHHN)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CHHN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<1>,1|O<2>,2|C<4>}	120.8730	0.000	1	120.8730	0.000	1	120.5513	0.114	3	118.2094	10.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PC[6]2Mo)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6]2Mo){1|C<3>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|Cl<1>,1|C<2>,1|H<1>}	117.1030	0.000	1	117.1030	0.000	1	117.1030	0.000	1	118.2094	10.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:2:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(SN[6]OO)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(SN[6]OO){1|C<3>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<2>,2|H<1>}	120.5320	0.000	1	120.5320	0.000	1	120.5320	0.000	1	118.2094	10.395	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:F-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(H)	C[6](C[6]C[6]F)(C[6]C[6]H)(CHHO){1|C<3>,1|F<1>}	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]F)(H){1|C<2>,2|F<1>}	125.7180	0.000	1	125.7180	0.000	1	125.7180	0.000	1	120.3642	13.659	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:O-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6])(O)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|N<2>,2|O<1>}	117.2230	0.000	1	117.2230	0.000	1	117.2230	0.000	1	120.3642	13.659	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:O[6]-2:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(PC[6a]3)	C[6](C[6]C[6]P)(O[6]C[6])(O)	C[6](C[6]C[6]P)2(H)	C[6](C[6]C[6]H)(C[6]O[6]O)(PC[6a]3){1|C<3>,1|P<4>}	C[6](C[6]C[6]P)(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]P)2(H){1|O<2>,2|O<1>}	119.2580	0.020	2	119.2580	0.000	2	119.2580	0.000	2	120.3642	13.659	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:3:2:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(NH3)	C[6](C[6]C[6]N)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(NH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(OC){1|C<2>,2|H<1>}	121.9350	0.000	1	121.9350	0.000	1	121.9350	0.000	1	121.9350	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NPdN)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NPdN){1|C<2>,2|H<1>}	115.6940	0.000	1	115.6940	0.000	1	115.6940	0.000	1	117.9395	10.085	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:O-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)2(CCC)	C[6](C[6]C[6]C)(C[6]O[6]O)(CC[6a]HH){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(CCC){1|O<1>,1|O<2>,2|H<1>}	120.1850	0.000	1	120.1850	0.000	1	120.1850	0.000	1	117.9395	10.085	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:2:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:O-2:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]O)2(CC[5a]HH)	C[6](C[6]C[6]C)(O[6]C[6])(OC)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]O)2(CC[5a]HH){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(OC){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){2|C<4>,2|O<2>}	116.8760	0.000	1	116.8760	0.000	1	116.8760	0.000	1	116.8760	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)(C[6]C[6])(OH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(OH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<2>,1|H<1>,1|O<2>}	115.3110	0.936	2	115.3110	0.876	2	115.3110	0.876	2	115.3110	0.876	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:2:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:S-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(SW)	C[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(SW){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CCHH){1|C<4>,1|O<2>,1|S<2>}	119.1200	0.000	1	119.1200	0.000	1	119.1200	0.000	1	119.1200	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:3:	3:2:4:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-2:C-3:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2(NH3)	C[6](C[6]C[6]N)(C[6]C[6])(CCH)	C[6](C[6]C[6]N)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2(NH3){1|C<3>}	C[6](C[6]C[6]N)(C[6]C[6])(CCH){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|H<1>}	125.2240	0.000	1	125.2240	0.000	1	125.2240	0.000	1	125.2240	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<2>,2|N<3>}	115.5641	0.718	27	115.5641	0.516	27	115.8348	0.560	40	116.1834	2.444	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[5]HH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,1|N<2>,1|N<3>}	116.4362	0.377	9	116.4362	0.142	9	115.8348	0.560	40	116.1834	2.444	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[6]HH)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(CN[6]HH){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<4>,1|N<2>,1|N<3>}	116.3090	0.623	4	116.3090	0.388	4	115.8348	0.560	40	116.1834	2.444	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:N-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6])(NHH)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]N)(CC[6a]HH){1|Ru<9>,1|C<3>}	C[6](C[6]C[6]C)(N[6]C[6])(NHH){1|H<1>,2|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	115.4770	0.670	2	115.4770	0.449	2	115.4770	0.449	2	116.1834	2.444	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P[6]-2:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C[6](C[6]C[6]C)(P[6]C[6])(PC[6a]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(P[6]C[6])(PC[6a]2){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|P<2>,1|P<3>}	120.6050	0.000	1	120.6050	0.000	1	121.3027	0.388	3	116.1834	2.444	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P[6]-2:P-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C[6](C[6]C[6]C)(P[6]C[6])(PC[6a]2)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(P[6]C[6])(PC[6a]2){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]C)2(H){1|P<2>,2|P<3>}	121.6515	0.216	2	121.6515	0.047	2	121.3027	0.388	3	116.1834	2.444	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:4:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]O[6]C)(C[6]O[6]O)(CCHN){1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|O<2>,3|C<4>}	119.0000	0.000	1	119.0000	0.000	1	119.0000	0.000	1	119.0000	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]O[6]C)(BC[6a]3)	C[6](C[6]C[6]B)(O[6]C[6])(CCHH)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]O[6]C)(BC[6a]3){1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(O[6]C[6])(CCHH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<4>,2|O<2>}	114.3950	0.000	1	114.3950	0.000	1	114.3950	0.000	1	117.1163	5.930	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]N[6])(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CC[6a]HH){1|N<2>,1|O<1>}	C[6](C[6]C[6]C)(N[6]N[6])(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<4>,1|N<2>}	117.8640	0.000	1	117.8640	0.000	1	117.8640	0.000	1	117.1163	5.930	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CH3){1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|O<2>,2|C<3>}	119.0900	0.000	1	119.0900	0.000	1	119.0900	0.000	1	117.1163	5.930	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:C-4:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(CC[6a]HN)	C[6](C[6]C[6]C)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH)	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(CH3){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH){1|C<2>,2|C<4>}	118.4110	0.000	1	118.4110	0.000	1	118.4110	0.000	1	118.4110	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[6]C)2(CCHH){1|C<4>,1|O<2>,1|S<2>}	119.4830	0.000	1	118.5010	1.929	2	118.5010	1.929	2	118.5010	1.929	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)2(CCHH){1|Cr<6>,1|C<4>,1|O<2>}	117.5190	0.000	1	118.5010	1.929	2	118.5010	1.929	2	118.5010	1.929	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:2:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:O[6]-2:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]O[6]C)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(CCHH)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)(C[6]O[6]C)(CH3){1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(O[6]C[6])(CCHH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	119.5890	0.158	2	119.5890	0.025	2	119.5890	0.025	2	119.5890	0.025	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	120.6370	0.000	1	120.1380	0.498	2	120.1380	0.498	2	120.1380	0.498	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](O[6]C[6,6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]O[6]O)(CC[6a]2H){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(O){1|O<1>,2|C<3>}	119.6390	0.000	1	120.1380	0.498	2	120.1380	0.498	2	120.1380	0.498	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a])	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NC[6a]){1|H<1>,2|C<3>}	119.9360	0.000	1	119.9360	0.000	1	119.5525	0.294	2	119.5525	0.294	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	2:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	O[6]-2:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](O[6]C[6,6a])(C[6]C[6]C)(NS)	C[6](C[6]C[6,6a]H)(C[6]O[6]N)(CHHO){2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6a])(C[6]C[6]C)(NS){1|H<1>,2|C<3>}	119.1690	0.000	1	119.1690	0.000	1	119.5525	0.294	2	119.5525	0.294	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:As-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(AsO3)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]As)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(AsO3){1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.4560	0.000	1	120.4560	0.000	1	120.4560	0.000	1	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]B)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6])(H){1|C<3>,2|H<1>}	114.4682	0.896	4	114.4682	0.803	4	114.4682	0.803	4	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:F-1:	C[6]-3:C[6]-2:F-1:	C[6](C[6]C[6]F)2(CCoHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(F)	C[6](C[6]C[6]C)(C[6]C[6])(F)	C[6](C[6]C[6]F)2(CCoHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(F){1|C<2>,1|F<1>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(F){1|C<3>,1|F<1>,1|H<1>}	113.4640	0.000	1	113.4640	0.000	1	113.4640	0.000	1	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	118.0210	0.000	1	116.7236	1.378	5	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	116.5480	0.000	1	116.7236	1.378	5	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	117.8440	0.000	1	116.7236	1.378	5	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	115.6025	0.173	2	116.7236	1.378	5	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](C[6]C[6]H)2(CCHH){1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6])(H){1|C<3>,2|H<1>}	117.5490	0.000	1	117.5490	0.000	1	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.1130	0.192	4	119.1130	0.037	4	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC[5]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[5]HH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	117.5940	0.000	1	117.5940	0.000	1	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC[6]CO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[6]CO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	117.4360	0.000	1	117.4360	0.000	1	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC[6]HO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[6]HO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	119.3650	0.000	1	119.3650	0.000	1	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CC[6a]2N)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CC[6a]2N){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.2770	0.000	1	118.2770	0.000	1	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CCuCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CCuCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	117.8320	0.000	1	117.8320	0.000	1	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CH3){1|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.6160	0.000	1	117.6160	0.000	1	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<2>}	118.2790	0.000	1	117.8560	0.356	7	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	116.5780	0.000	1	117.8560	0.356	7	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|S<4>}	117.9958	0.228	4	117.8560	0.356	7	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.1520	0.000	1	117.8560	0.356	7	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	117.4050	0.000	1	117.4050	0.000	1	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	117.9377	1.556	3	117.9377	2.421	3	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CHHS)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CHHS){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	118.8110	0.000	1	118.8110	0.000	1	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(CN[5]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(CN[5]CH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,2|H<1>}	114.7360	0.000	1	114.7360	0.000	1	117.7757	1.388	29	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|H<1>,1|O<1>}	118.2740	0.000	1	118.2740	0.000	1	118.2740	0.000	1	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCCH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6])(Cl){1|N<3>,2|O<1>}	114.3590	0.359	2	114.3590	0.129	2	114.5440	0.123	4	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:Cl-1:	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6])(Cl)	C[6](C[6]N[6]Cl)(C[6]N[6]O)(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|Cl<1>,1|N<2>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6])(Cl){1|N<3>,2|O<1>}	114.7290	0.320	2	114.7290	0.102	2	114.5440	0.123	4	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CN[5]HH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CN[5]HH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<3>,1|N<3>,1|O<1>}	118.7090	0.000	1	118.7090	0.000	1	118.7090	0.000	1	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]C[6])(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,1|C<4>}	C[6](N[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,1|O<2>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6])(O){1|H<1>,1|N<3>,1|O<1>}	117.7172	0.364	5	117.7172	0.132	5	117.7172	0.132	5	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:O-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|Zn<5>,1|C<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|N<3>,2|O<1>}	117.1295	0.831	2	117.1295	0.690	2	117.1295	0.690	2	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PC[6]2Mo)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6]2Mo){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|Cl<1>,1|C<2>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|Cl<1>,1|C<3>,1|H<1>}	117.8490	0.000	1	117.8490	0.000	1	118.4605	1.641	14	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PC[6]FeC)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6]FeC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.5185	0.234	2	118.5185	0.055	2	118.4605	1.641	14	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PC[6]MoC)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6]MoC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	115.7835	1.050	2	115.7835	1.103	2	118.4605	1.641	14	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PC[6]PdO)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6]PdO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.9220	0.000	1	119.9220	0.000	1	118.4605	1.641	14	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PC[6]ReO)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6]ReO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.4030	0.000	1	119.4030	0.000	1	118.4605	1.641	14	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PC[6a]2N)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6a]2N){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.1570	0.000	2	119.1570	0.000	2	118.4605	1.641	14	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PC[6a]3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6a]3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.1810	0.000	1	119.1810	0.000	1	118.4605	1.641	14	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PC[6a]CO)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6a]CO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.5170	0.000	1	118.5170	0.000	1	118.4605	1.641	14	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PC[6a]NN)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PC[6a]NN){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.0440	0.000	1	119.0440	0.000	1	118.4605	1.641	14	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PFeCC)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PFeCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.3810	0.000	1	118.3810	0.000	1	118.4605	1.641	14	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(PMo2H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(PMo2H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.2320	0.000	1	119.2320	0.000	1	118.4605	1.641	14	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(SC[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(SC[5]OO){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,2|H<1>}	120.1310	0.000	1	120.1310	0.000	1	119.9720	0.051	2	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(SMn3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(SMn3){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	119.8130	0.000	1	119.8130	0.000	1	119.9720	0.051	2	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)2(SiC[6a]3)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6]H)2(SiC[6a]3){1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	116.7380	0.431	2	116.7380	0.186	2	116.7380	0.186	2	117.5327	2.957	66	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6])(OFe)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6])(OFe){1|C<3>,2|H<1>}	118.4440	0.000	1	118.4440	0.000	1	118.4440	0.000	1	118.4440	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:2:4:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:O-1:	C[6]-3:O[6]-2:C-4:	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH)	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(O[6]P[6])(CH3)	C[6](C[6]N[6]O)(C[6]O[6]C)(CCHH){1|C<3>,1|P<4>}	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(O){1|Cl<1>,1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(O[6]P[6])(CH3){1|Cl<1>,1|N<3>,2|O<1>}	123.5040	0.000	1	123.5040	0.000	1	123.5040	0.000	1	123.5040	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BF3)	C[6](C[6]C[6]B)(C[6]N[6]C)(H)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(BF3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]B)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	116.8740	0.000	1	116.8740	0.000	1	114.6268	2.083	8	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BN[6]CC)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(BN[6]CC){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	114.9558	0.406	5	114.9558	0.165	5	114.6268	2.083	8	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BO3)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]B)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(BO3){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	112.6805	0.869	2	112.6805	0.755	2	114.6268	2.083	8	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(BN[6]CC)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]B)(N[6]C[6]B)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BN[6]CC){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]B)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	115.6480	0.023	2	115.6480	0.001	2	115.6480	0.001	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(BO3)	C[6](N[6]C[6]Co)(C[6]C[6]B)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(BO3){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	114.9580	0.000	1	114.9580	0.000	1	114.9580	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[3x6]-3:C[6]-3:O-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(CH3)	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]C)(O)	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[3x6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[3x6]C[3x6]C[4x6])(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6,6]C[4x6]N[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|C<3>}	119.8490	0.000	1	119.8490	0.000	1	119.8490	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)2(CC3)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]C)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[5,6]N[5,5,6]C[5,6])(C[6]C[6]C)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	117.2900	0.000	1	117.2900	0.000	1	117.2900	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|Ga<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|Ga<5>,1|C<3>,1|H<1>}	117.0890	0.718	2	116.6802	0.422	6	117.2408	0.571	13	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|In<6>,1|C<3>,1|H<1>}	116.4758	0.604	4	116.6802	0.422	6	117.2408	0.571	13	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<8>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|Zr<8>,1|C<3>,1|H<1>,1|N<3>}	118.1060	0.000	1	118.0340	0.010	2	117.2408	0.571	13	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<9>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|Zr<9>,1|C<3>,1|H<1>,1|N<3>}	117.9620	0.000	1	118.0340	0.010	2	117.2408	0.571	13	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5,6]C[5,6]N[5,6])(C[6]C[6]C)(H){1|In<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|In<6>,1|C<3>,1|H<1>}	117.4228	0.339	4	117.4228	0.115	4	117.2408	0.571	13	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|H<1>,2|N<3>}	C[6](C[5,6]N[5,6]N[5])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|S<2>,2|C<3>}	C[6](C[6]N[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<2>}	118.2910	0.000	1	118.2910	0.000	1	117.2408	0.571	13	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	119.8390	0.000	1	119.8390	0.000	1	119.8390	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|N<3>,1|S<2>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.0255	0.093	2	117.6773	1.279	3	117.9748	0.811	5	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|N<3>,1|S<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]N[5a,6]S)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.9810	0.000	1	117.6773	1.279	3	117.9748	0.811	5	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CH3)	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[5a,6]N[5a,6]C[5a])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.4210	0.150	2	118.4210	0.022	2	117.9748	0.811	5	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN)	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(Br)	C[6](C[6]C[5a,6]O)(C[6]C[6]Br)(CHHN){1|O<1>,2|C<3>}	C[6](C[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(O){1|Br<1>,1|N<3>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(Br){1|C<3>,1|N<3>,1|O<1>}	119.2250	0.000	1	119.2250	0.000	1	119.2250	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH)	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]O)(C[6]C[6]H)(CC[6a]CH){1|H<1>,2|C<3>}	C[6](C[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H){1|C<3>,1|N<2>,1|O<1>}	119.0990	0.000	1	119.0990	0.000	1	119.0990	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[5a,6]C)(C[6]C[6]C)(O){1|C<3>,1|N<2>,1|O<1>}	126.4780	0.000	1	126.4780	0.000	1	126.4780	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)2(CC3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)2(CC3){1|C<4>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	118.6380	0.000	1	118.6380	0.000	1	118.6725	0.047	6	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)2(CC3)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)2(CC3){1|C<4>,2|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){1|C<2>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	118.5350	0.253	2	118.5350	0.064	2	118.6725	0.047	6	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)2(CC3)	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H)	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)2(CC3){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6a]C[3x6])(C[6]C[6]C)(H){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[3x6]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	118.7757	0.223	3	118.7757	0.050	3	118.6725	0.047	6	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	117.4670	1.220	2	117.4670	1.490	2	117.7831	0.295	9	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	117.8150	0.000	1	117.8413	0.114	6	117.7831	0.295	9	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6]C[6,6a]N[6,6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	117.8466	0.377	5	117.8413	0.114	6	117.7831	0.295	9	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6,6]N[6,6]N[6])(C[6]C[6]C)(H){1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]N[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<4>}	118.0660	0.000	1	118.0660	0.000	1	117.7831	0.295	9	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CCCH){1|O<2>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>}	116.7510	0.000	1	116.7510	0.000	1	116.7510	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]Os)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3){1|Os<8>,1|C<3>,1|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|Os<8>,1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6]Os)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.7725	0.428	2	118.7725	0.183	2	118.7725	0.183	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	118.5610	0.000	1	118.5610	0.000	1	118.5610	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]C)(H)	C[6](C[6]N[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6,6a]C[6a,6a]N[6,6a])(C[6]C[6]C)(H){1|B<4>,1|H<1>,3|C<3>}	C[6](C[6]N[6,6a]H)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	117.5000	0.460	2	117.5000	0.211	2	117.5000	0.211	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CC[6a]2O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CC[6a]2O){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	117.5030	0.914	2	117.5030	0.835	2	117.9308	0.711	6	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[5,6a]C[6,6a])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	118.4730	0.898	2	118.4730	0.806	2	117.9308	0.711	6	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CHHS)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CHHS){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	117.8165	0.965	2	117.8165	0.932	2	117.9308	0.711	6	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.1540	0.000	1	117.1540	0.000	1	117.1850	0.489	7	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|Cu<5>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.0890	0.501	3	117.0890	0.251	3	117.1850	0.489	7	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.4950	0.000	1	118.4950	0.000	1	117.1850	0.489	7	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]H)(C[6]N[6]H)(CH3){1|Zn<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.6895	0.442	2	116.6895	0.195	2	117.1850	0.489	7	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CCHO)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CCHO){3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	121.7580	0.133	2	121.7580	0.018	2	121.7423	0.010	3	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[5,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CHHO)	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[5,6]H)(CHHO){3|C<3>}	C[6](C[6,6a]C[5,6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[5,6]C[5,6,6a]C[5])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	121.7110	0.000	1	121.7110	0.000	1	121.7423	0.010	3	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(Br)	C[6](C[6]C[6,6a]O)(C[6]C[6]Br)(CCHH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(Br){1|O<1>,2|C<3>}	119.3310	0.000	1	119.3310	0.000	1	119.3310	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	117.4823	1.657	3	117.4823	2.747	3	119.3470	1.174	21	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]C[6])(C[6]C[6]C)(H){1|O<1>,4|C<3>}	120.3805	0.035	2	120.3805	0.001	2	119.3470	1.174	21	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|I<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	119.3645	0.303	2	119.2761	0.182	10	119.3470	1.174	21	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	119.2627	0.504	7	119.2761	0.182	10	119.3470	1.174	21	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CH3){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	119.1930	0.000	1	119.2761	0.182	10	119.3470	1.174	21	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5]2C){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	119.5840	0.000	1	119.5840	0.000	1	119.3470	1.174	21	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5a]2C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[5a]2C){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	119.8630	0.000	1	119.8630	0.000	1	119.3470	1.174	21	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]N)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]O)(C[6]C[6]H)(CN[6]HH){1|N<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]N)(C[6]C[6]C)(H){1|O<1>,2|C<3>}	120.2180	0.351	4	120.2180	0.123	4	119.3470	1.174	21	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HN)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HN){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){1|O<1>,2|C<3>}	123.2830	0.000	1	123.2830	0.000	1	123.2830	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(Br)	C[6](C[6]C[6]C)(C[6]N[6]N)(Br)	C[6](C[6]C[6]Br)2(CH3){1|C<4>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(Br){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(Br){1|Br<1>,1|C<3>,1|H<1>}	117.2045	0.069	2	117.2045	0.005	2	117.2045	0.005	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(Cl){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Cl<1>,2|C<3>}	117.1505	0.107	2	117.1505	0.011	2	117.1505	0.011	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(Br){1|C<3>,2|H<1>}	117.0770	0.000	1	117.0770	0.000	1	117.0770	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CBrHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CBrHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.6160	0.000	1	117.6160	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.4550	0.000	1	117.2459	0.600	7	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Ti<11>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|Ti<11>,1|C<3>,1|H<1>,1|O<2>}	117.8665	0.038	4	117.2459	0.600	7	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Zr<13>,1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|Zr<13>,1|C<3>,1|H<1>,1|O<2>}	116.4000	0.000	2	117.2459	0.600	7	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	115.8320	0.000	1	115.8320	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	116.4610	0.000	1	116.1610	0.152	3	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	116.0110	0.410	2	116.1610	0.152	3	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>,1|V<7>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<7>}	116.5200	0.055	2	116.6892	0.296	12	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>,1|V<8>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	116.6965	0.112	2	116.6892	0.296	12	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	115.6560	0.000	1	116.6892	0.296	12	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Ta<8>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|Ta<8>,1|C<3>,1|H<1>,1|O<2>}	117.1516	0.383	5	116.6892	0.296	12	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Zr<8>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|Zr<8>,1|C<3>,1|H<1>,1|O<2>}	116.2115	0.046	2	116.6892	0.296	12	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Br<1>,2|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.9260	0.212	2	116.9260	0.045	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	120.0050	0.000	1	118.2135	6.419	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	116.4220	0.000	1	118.2135	6.419	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|S<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ta<13>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Ta<13>,1|C<3>,1|H<1>,1|O<2>}	116.7580	0.000	1	116.7580	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	119.1843	0.388	3	119.1227	0.115	4	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	118.9380	0.000	1	119.1227	0.115	4	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	119.3457	1.072	3	119.3457	1.150	3	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	116.5595	0.302	2	116.7954	0.244	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	116.2910	0.000	1	116.7954	0.244	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Ti<9>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Ti<9>,1|C<3>,1|H<1>,1|O<2>}	117.2835	0.210	2	116.7954	0.244	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	116.5080	0.368	3	117.4619	0.481	15	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Co<5>,1|C<3>,1|H<1>}	118.0900	0.371	2	117.4619	0.481	15	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<5>,1|C<3>,1|H<1>}	117.8695	0.316	6	117.4619	0.481	15	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	117.5190	0.373	3	117.4619	0.481	15	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	116.4510	0.000	1	117.4619	0.481	15	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	116.0823	0.214	3	116.0823	0.046	3	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	115.9812	0.272	9	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.0193	0.382	3	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	115.5172	0.376	5	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<8>,1|C<3>,1|H<1>}	114.9740	0.000	1	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	115.8830	0.000	1	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<4>,1|C<3>,1|H<1>}	115.6244	0.379	5	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	115.4647	0.282	3	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ge<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ge<6>,1|C<3>,1|H<1>}	116.3220	0.000	1	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	115.4660	0.000	1	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	115.9256	0.171	5	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	116.0530	0.000	1	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	115.9097	0.842	3	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	116.2850	0.007	2	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	115.7450	0.328	2	115.8835	0.266	42	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CC3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Os<6>,1|C<3>,1|H<1>}	115.4955	0.378	2	115.4955	0.143	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(CC3){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	115.7425	0.390	2	115.7425	0.152	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	114.4890	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<2>}	115.0870	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.5060	0.619	6	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	120.4620	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<3>}	C[6](C[6]C[6]C)2(H){2|Dy<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){2|Dy<15>,1|C<3>,1|H<1>,1|O<3>}	116.4140	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<3>}	C[6](C[6]C[6]C)2(H){2|Ho<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){2|Ho<15>,1|C<3>,1|H<1>,1|O<3>}	116.8510	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<3>}	C[6](C[6]C[6]C)2(H){2|Tb<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){2|Tb<15>,1|C<3>,1|H<1>,1|O<3>}	116.4910	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|Ce<16>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Ce<16>,1|C<3>,1|H<1>,1|O<2>}	116.8937	0.432	8	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<5>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	116.8150	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.1190	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>,1|V<5>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>,1|V<5>}	117.6265	0.125	2	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	116.1010	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<5>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<5>}	117.3220	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	116.4210	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<7>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<7>}	116.7750	0.322	2	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>,2|H<1>}	117.0790	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Ce<14>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Ce<14>,1|C<3>,1|H<1>,1|O<2>}	116.6215	0.122	2	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<3>}	116.7990	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	117.0380	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	116.2851	0.711	15	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|U<16>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)2(H){1|U<16>,1|C<3>,1|H<1>,1|N<2>}	116.3350	0.000	1	116.6066	0.780	50	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.5000	0.000	1	116.3565	0.041	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.2130	0.000	1	116.3565	0.041	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	117.7398	2.062	5	117.7398	4.250	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	115.9105	0.149	4	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	116.6193	0.275	3	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	116.4590	0.757	4	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	116.2073	0.354	16	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|W<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	116.1423	0.709	4	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<5>,1|C<3>,1|H<1>}	115.7695	0.383	2	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	116.1596	0.787	52	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<7>,1|C<3>,1|H<1>}	116.1590	1.394	2	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	116.2296	0.628	15	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	116.4358	0.477	6	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<8>,1|C<3>,1|H<1>}	116.4390	0.041	2	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.1190	0.000	1	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	116.2384	0.391	19	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	116.8285	0.156	2	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	116.6940	0.000	1	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	117.0338	1.138	6	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	116.3130	0.345	40	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|H<1>}	116.3780	0.971	8	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	116.2670	0.721	75	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	116.5153	0.576	10	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	116.1820	0.891	54	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	116.4532	0.565	16	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	116.6219	0.474	18	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	116.0759	0.509	24	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	116.6015	0.091	2	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	116.0891	0.894	12	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cr<9>,1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	116.1610	0.000	1	116.2776	0.474	399	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	117.8012	0.372	8	118.1590	0.408	21	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	117.7260	0.000	1	118.1590	0.408	21	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<5>,1|H<1>,1|N<3>,2|C<3>}	117.5740	0.000	1	118.1590	0.408	21	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	118.5061	0.366	9	118.1590	0.408	21	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	119.8010	0.000	1	118.1590	0.408	21	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	117.2730	0.000	1	118.1590	0.408	21	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	116.7137	1.360	3	117.6229	1.377	15	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<7>,1|H<1>,3|C<3>}	116.4365	0.525	2	117.6229	1.377	15	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	117.8265	0.112	2	117.6229	1.377	15	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,3|C<3>}	118.2096	1.011	8	117.6229	1.377	15	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|Ir<5>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|Ir<5>,1|H<1>,1|O<2>,3|C<3>}	116.8410	0.000	1	116.7755	0.009	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|Pt<5>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|Pt<5>,1|H<1>,1|O<2>,3|C<3>}	116.7100	0.000	1	116.7755	0.009	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	116.8607	0.369	4	116.9133	0.176	13	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.0543	0.477	6	116.9133	0.176	13	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pd<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<6>,1|C<3>,1|H<1>}	116.3220	0.000	1	116.9133	0.176	13	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	116.8910	0.293	2	116.9133	0.176	13	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Au<4>,1|H<1>,3|C<3>}	118.6740	0.000	1	116.3118	0.965	8	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	116.0472	0.268	5	116.3118	0.965	8	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,3|C<3>}	115.7920	0.018	2	116.3118	0.965	8	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C[6](C[6]B[6]H)(C[6]C[6]C)(H)	C[6](C[6]B[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCCH){1|B<3>,2|H<1>}	C[6](C[6]B[6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]B[6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	118.9270	0.489	2	118.9270	0.239	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCCH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	116.8940	0.000	1	116.8940	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CCCH){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Cr<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|Cr<4>,1|H<1>,2|C<3>}	117.9500	0.000	1	117.9565	0.042	12	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CCCH){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Pd<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|Pd<4>,1|H<1>,2|C<3>}	117.9571	0.215	11	117.9565	0.042	12	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,2|H<1>}	116.6900	0.000	1	116.6900	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	117.5890	0.000	1	117.5775	0.000	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	117.5660	0.000	1	117.5775	0.000	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CCHH){1|O<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	118.6610	0.000	1	118.6610	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	116.3550	0.000	1	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.8705	0.537	13	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	116.2955	0.633	10	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	115.8560	0.000	2	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.5902	0.807	91	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	116.4808	0.427	8	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	116.3510	0.000	1	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	116.0314	0.371	7	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	116.2397	0.432	3	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	116.3523	0.237	3	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	117.4072	0.979	5	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	116.5830	0.285	3	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	116.6997	0.484	3	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	117.1350	0.268	3	117.1734	0.802	153	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CCHH){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	117.2430	0.150	2	117.2430	0.022	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.1480	0.000	1	117.5740	0.776	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	117.4305	0.947	4	117.5740	0.776	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.5135	0.518	2	118.5135	0.269	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.2793	0.552	3	118.3216	0.396	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	117.6910	0.000	1	118.3216	0.396	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	119.0790	0.000	1	118.3216	0.396	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCHO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.3420	0.528	2	118.3420	0.278	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[3]CP)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[3]CP){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.6350	0.000	1	118.6350	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[5]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[5]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.8420	0.000	1	117.8420	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[5]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(CC[5]HH){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	116.0860	0.000	1	116.0860	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]CH){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.8410	0.000	1	118.8410	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]CO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]CO){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	117.0750	0.000	1	117.0750	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	117.0940	0.000	1	117.0940	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6]HH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	117.1971	0.312	8	117.1971	0.097	8	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2C){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	116.4005	0.324	6	116.4005	0.105	6	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2C)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2C){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	116.3220	0.000	1	116.3220	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	117.4290	0.000	1	117.4290	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.9730	0.122	2	117.9730	0.015	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<2>,1|C<3>,1|H<1>}	116.7100	0.000	1	116.8976	1.514	20	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	117.2819	1.724	7	116.8976	1.514	20	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]2O)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]2O){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	116.6891	0.922	12	116.8976	1.514	20	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC[6a]3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	118.7090	0.199	2	118.7090	0.040	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]CC)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]CC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	115.6450	0.000	1	115.6450	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]CC)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC[6a]CC){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.9322	0.247	5	116.9322	0.061	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]CO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]CO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.2730	0.532	2	117.2730	0.283	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC[6a]HH){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	117.7770	0.000	1	117.7770	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.6748	0.393	5	117.6172	0.320	15	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|H<1>,2|C<3>}	117.9274	0.182	5	117.6172	0.320	15	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CC[6a]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.2494	0.799	5	117.6172	0.320	15	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CClHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CClHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.8130	0.000	1	118.8130	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CClHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CClHH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.1580	0.354	2	118.1580	0.125	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCo2C)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCo2C){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	116.5255	0.346	2	116.3840	0.588	4	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCo2C)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CCo2C){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	116.2425	1.251	2	116.3840	0.588	4	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]B)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CF3){1|B<4>,1|C<2>,1|C<4>}	C[6](C[6]C[6]B)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	120.8810	0.000	1	120.8810	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	119.9750	0.962	3	119.9750	0.925	3	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	122.2580	0.000	1	120.8455	3.990	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	119.4330	0.000	1	120.8455	3.990	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CF3){3|C<4>}	C[6](C[6]C[6]C)2(H){2|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){2|Li<5>,1|C<3>,1|H<1>}	119.9455	0.062	2	119.9455	0.004	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	119.8530	0.000	1	119.9810	0.033	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<6>,1|C<3>,1|H<1>}	120.1090	0.000	1	119.9810	0.033	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.4170	0.747	2	119.7541	0.428	7	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	119.8710	0.750	4	119.7541	0.428	7	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<8>,1|Ru<9>,1|C<3>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	119.9610	0.000	1	119.7541	0.428	7	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|H<1>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	118.9510	0.000	1	118.9510	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CF3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	119.9209	0.585	10	119.9209	0.343	10	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CF3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CF3){1|Ir<6>,1|C<3>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|H<1>,4|C<3>}	C[6](C[6]N[6]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	120.0340	0.000	1	120.0340	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CGeHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CGeHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.5580	0.000	1	116.5580	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Ti<7>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Ti<7>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	117.2635	0.951	2	117.2635	0.905	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Dy<12>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]C)2(H){1|Dy<12>,1|C<3>,1|H<1>,1|O<2>}	117.1257	0.113	3	117.4420	0.175	8	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Er<12>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]C)2(H){1|Er<12>,1|C<3>,1|H<1>,1|O<2>}	117.6075	0.445	2	117.4420	0.175	8	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]C)(H){1|Gd<12>,1|C<3>,1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]C)2(H){1|Gd<12>,1|C<3>,1|H<1>,1|O<2>}	117.6480	0.508	3	117.4420	0.175	8	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Ti<8>,1|C<3>,1|H<1>,1|N<3>,1|O<2>,1|S<2>}	C[6](C[6]C[6]C)2(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	118.0440	0.529	4	118.0440	0.280	4	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5]N[6])(C[6]C[6]C)(H){1|Re<6>,1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.7430	0.000	1	117.7430	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	115.8250	0.000	1	115.8250	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Ti<12>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|Ti<12>,1|C<3>,1|H<1>,1|O<2>}	117.8865	0.056	2	117.7850	0.072	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Zr<10>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|Zr<10>,1|C<3>,1|H<1>,1|O<2>}	117.8130	0.000	1	117.7850	0.072	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|Zr<14>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|Zr<14>,1|C<3>,1|H<1>,1|O<2>}	117.6695	0.489	2	117.7850	0.072	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.0907	1.533	3	117.9499	0.867	18	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Al<4>,1|C<3>,2|H<1>}	118.7810	0.146	2	117.9499	0.867	18	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|V<8>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>,1|V<8>}	117.8140	0.000	1	117.9499	0.867	18	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ta<10>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ta<10>,1|C<3>,1|C<4>,1|H<1>}	118.6090	0.000	1	117.9499	0.867	18	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<16>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<16>,1|C<3>,1|H<1>,1|N<3>}	117.2680	0.000	1	117.9499	0.867	18	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<8>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<8>,1|C<3>,1|H<1>,1|N<3>}	117.5170	0.144	2	117.9499	0.867	18	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<9>,1|C<3>,1|H<1>,1|N<3>}	118.0500	0.000	1	117.9499	0.867	18	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<11>,1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|U<11>,1|C<3>,1|H<1>,1|N<2>}	118.0360	0.000	1	117.9499	0.867	18	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Fe<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Fe<4>,1|C<3>,1|H<1>}	117.2922	0.288	5	117.9499	0.867	18	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|Li<4>,1|C<3>,1|H<1>}	116.9930	0.000	1	117.9499	0.867	18	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<2>,1|V<6>}	117.5670	0.000	1	117.5670	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	116.9700	0.000	1	117.5726	0.186	7	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<6>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Ti<6>,1|C<3>,1|H<1>,1|N<3>}	118.2050	0.000	1	117.5726	0.186	7	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sc<9>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Sc<9>,1|C<3>,1|H<1>,1|N<3>}	118.0910	0.000	1	117.5726	0.186	7	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<7>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Ti<7>,1|C<3>,1|H<1>,1|N<3>}	117.4353	0.064	3	117.5726	0.186	7	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Y<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Y<10>,1|C<3>,1|H<1>,1|N<3>}	117.4360	0.000	1	117.5726	0.186	7	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|S<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Ti<8>,1|C<3>,1|H<1>,1|O<2>}	118.1820	0.000	1	118.1820	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|V<8>}	117.8200	0.000	1	117.2198	0.151	8	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	117.1108	0.352	6	117.2198	0.151	8	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	117.2730	0.000	1	117.2198	0.151	8	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|O<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	120.7005	0.013	2	119.1233	1.596	6	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Dy<15>,1|C<3>,1|H<1>,1|O<2>}	118.3100	0.000	1	119.1233	1.596	6	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|O<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Eu<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){1|Eu<15>,1|C<3>,1|H<1>,1|O<3>}	118.0505	0.054	2	119.1233	1.596	6	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|O<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|Y<15>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){1|Y<15>,1|C<3>,1|H<1>,1|O<3>}	118.9280	0.000	1	119.1233	1.596	6	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|P<4>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|Ce<11>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Ce<11>,1|C<3>,1|H<1>,1|O<2>}	117.7257	0.247	3	117.7500	0.043	4	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|P<4>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|U<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|U<12>,1|C<3>,1|H<1>,1|O<2>}	117.8230	0.000	1	117.7500	0.043	4	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	116.5120	0.000	1	116.5120	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|S<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Zr<12>,1|C<3>,1|H<1>,1|O<2>}	117.5380	0.281	2	117.5380	0.079	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	116.9688	0.258	4	117.4189	1.023	44	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	118.0430	0.000	2	117.4189	1.023	44	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	118.2641	0.548	15	117.4189	1.023	44	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	116.9345	0.018	2	117.4189	1.023	44	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	117.4585	0.515	2	117.4189	1.023	44	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	117.0515	0.822	2	117.4189	1.023	44	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Li<5>,1|C<3>,1|H<1>}	117.1740	0.000	1	117.4189	1.023	44	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Mo<6>,1|C<3>,1|H<1>}	116.2985	0.152	2	117.4189	1.023	44	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	117.1130	0.000	1	117.4189	1.023	44	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<5>,1|C<3>,1|H<1>}	116.7698	1.405	10	117.4189	1.023	44	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.0127	0.463	3	117.4189	1.023	44	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	116.7880	0.000	1	117.5875	0.660	29	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	116.6640	0.000	1	117.5875	0.660	29	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.0410	0.337	2	117.5875	0.660	29	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.0549	0.356	15	117.5875	0.660	29	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	116.9510	0.655	2	117.5875	0.660	29	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	115.4330	0.000	1	117.5875	0.660	29	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	117.6010	0.000	1	117.5875	0.660	29	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	117.5722	1.102	5	117.5875	0.660	29	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	116.8820	0.000	1	117.5875	0.660	29	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	118.6195	0.200	2	118.6195	0.040	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Rh<8>,1|C<3>,1|H<1>}	117.3603	0.472	3	117.3603	0.222	3	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Al<4>,1|C<3>,1|H<1>}	116.6650	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<3>,1|C<3>,1|H<1>}	116.8250	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	116.8513	0.497	18	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Bi<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Bi<4>,1|C<3>,1|H<1>}	117.9780	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.5154	1.695	39	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|D<1>,1|H<1>}	117.8100	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|I<1>}	117.0400	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	117.1020	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.9290	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	116.5456	0.436	14	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	116.9393	0.281	4	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<3>}	116.6910	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|W<6>}	116.9790	0.129	2	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.7399	1.011	42	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	116.5355	0.135	2	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	116.8187	0.369	3	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	116.9310	0.016	2	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<2>,1|C<3>,1|H<1>}	117.0730	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	116.5638	0.491	12	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	116.5192	0.467	5	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	116.3425	0.387	2	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ga<4>,1|C<3>,1|H<1>}	117.0810	1.609	3	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Li<4>,1|C<3>,1|H<1>}	116.4507	0.528	8	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mg<4>,1|C<3>,1|H<1>}	116.9120	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	113.7260	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<7>,1|C<3>,1|H<1>}	116.4235	0.350	2	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	116.6680	0.778	8	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	116.8027	0.185	3	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<5>,1|C<3>,1|H<1>}	116.8245	0.497	2	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	116.0100	0.939	8	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	116.7202	0.323	12	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<3>,1|C<3>,1|H<1>}	117.0570	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	116.6660	1.449	14	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<5>,1|C<3>,1|H<1>}	117.3180	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	116.6390	0.222	3	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	116.4432	0.296	5	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<6>,1|C<3>,1|H<1>}	117.0870	0.129	2	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	116.5992	0.340	9	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	116.7260	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|H<1>}	116.0120	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<5>,1|C<3>,1|H<1>}	117.4020	0.387	2	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<6>,1|C<3>,1|H<1>}	116.7807	0.135	4	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sm<11>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sm<11>,1|C<3>,1|H<1>}	116.6145	0.093	2	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sn<5>,1|C<3>,1|H<1>}	116.5790	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Tc<6>,1|C<3>,1|H<1>}	116.7075	0.228	2	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ti<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ti<6>,1|C<3>,1|H<1>}	115.6630	0.000	1	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.3060	1.188	2	116.8199	1.105	253	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|H<1>,1|S<4>}	118.0560	0.000	1	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	118.7813	0.483	3	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cd<6>,1|C<3>,1|H<1>}	116.9027	0.185	4	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	118.7470	0.000	1	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	116.9005	0.322	2	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Fe<5>,1|C<3>,1|H<1>}	116.7670	0.792	2	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	117.1735	0.207	2	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Pt<4>,1|C<3>,1|H<1>}	117.9850	0.000	1	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	116.1765	0.163	2	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ru<9>,1|C<3>,1|H<1>}	117.3760	0.000	2	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|N<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ru<6>,1|C<3>,1|H<1>}	115.9700	0.000	1	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	118.5220	0.000	1	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|C<3>,2|H<1>}	118.7976	0.339	46	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Co<4>,1|C<3>,1|H<1>}	117.7845	1.507	6	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<3>,1|C<3>,1|H<1>}	117.7600	0.095	2	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<4>,1|C<3>,1|H<1>}	117.5760	0.580	2	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Cu<5>,1|C<3>,1|H<1>}	118.0080	0.453	4	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ir<6>,1|C<3>,1|H<1>}	116.6305	0.282	2	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]N)(H){1|Ru<5>,1|C<3>,1|H<1>}	118.0275	0.047	2	118.2028	0.883	86	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<3>,2|H<1>}	117.9650	0.372	3	117.2514	0.401	16	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Cu<5>,1|C<3>,1|H<1>}	117.1510	0.044	2	117.2514	0.401	16	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Ir<5>,1|C<3>,1|H<1>}	117.4560	0.371	4	117.2514	0.401	16	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Ir<6>,1|C<3>,1|H<1>}	116.7926	0.516	5	117.2514	0.401	16	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|Pd<4>,1|C<3>,1|H<1>}	117.0195	1.179	2	117.2514	0.401	16	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|Cu<4>,1|C<3>,1|H<1>}	116.5135	0.097	2	116.5135	0.009	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	117.3337	0.125	3	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	117.1580	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	117.1840	0.227	3	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,2|H<1>}	119.9693	0.240	4	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<5>,2|C<3>}	C[6](C[6]C[6]C)2(H){2|Tb<14>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){2|Tb<14>,1|C<3>,1|H<1>,1|O<3>}	116.7140	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<5>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|Th<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|Th<15>,1|C<3>,1|H<1>,1|N<3>}	117.0150	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	117.2015	0.037	2	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<3>}	C[6](C[6]C[6]C)2(H){1|Mo<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|Mo<5>,1|C<3>,1|H<1>}	117.2930	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>,1|V<7>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>,1|V<7>}	118.1170	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<8>}	117.9770	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<9>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>,1|U<9>}	117.0675	0.909	4	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>,2|H<1>}	116.4240	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Li<3>,1|Li<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|Li<3>,1|Li<4>,1|C<3>,1|H<1>}	117.6410	0.144	2	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Lu<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Lu<12>,1|C<3>,1|H<1>,1|O<2>}	117.8790	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|B<4>,1|C<3>,1|H<1>}	117.8120	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Sm<6>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){1|Sm<6>,1|C<3>,1|H<1>,1|O<3>}	118.0420	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Ta<7>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|Ta<7>,1|C<3>,1|H<1>,1|N<3>}	117.7160	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Th<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|Th<15>,1|C<3>,1|H<1>,1|N<3>}	117.5780	0.988	3	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|U<10>,1|C<3>,1|H<1>,1|O<2>}	117.6138	0.154	4	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|U<13>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|U<13>,1|C<3>,1|H<1>,1|N<3>}	119.9940	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|U<15>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|U<15>,1|C<3>,1|H<1>,1|N<3>}	118.0395	0.122	2	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Y<12>,1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Y<12>,1|C<3>,1|H<1>,1|O<2>}	117.5110	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Yb<10>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){1|Yb<10>,1|C<3>,1|H<1>,1|O<3>}	117.9180	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){1|Zr<7>,1|C<3>,1|H<1>,1|O<3>}	119.5140	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){2|Cr<7>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){2|Cr<7>,1|C<3>,1|H<1>}	117.9665	0.276	2	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){2|Cu<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){2|Cu<2>,1|C<3>,1|H<1>}	118.6324	1.146	7	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){2|Fe<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){2|Fe<3>,1|C<3>,1|H<1>}	118.8685	0.214	2	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){3|C<4>}	C[6](C[6]C[6]C)2(H){2|Mn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){2|Mn<4>,1|C<3>,1|H<1>}	120.0250	0.000	1	117.9974	1.117	54	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	117.4990	0.000	1	117.0196	0.836	14	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|Er<10>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Er<10>,1|C<3>,1|H<1>,1|N<3>}	116.7380	1.199	4	117.0196	0.836	14	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|Ta<7>,1|C<3>,1|H<1>,1|N<2>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ta<7>,1|C<3>,1|H<1>,1|O<2>}	118.6230	0.000	1	117.0196	0.836	14	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(H){1|Yb<10>,1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Yb<10>,1|C<3>,1|H<1>,1|N<3>}	116.9001	0.690	8	117.0196	0.836	14	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ag<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ag<4>,1|C<3>,1|H<1>}	116.9220	1.361	4	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.3510	0.362	5	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cd<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<5>,1|C<3>,1|H<1>}	118.0290	0.286	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cd<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<7>,1|C<3>,1|H<1>}	116.9695	0.022	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|H<1>}	117.0700	0.017	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	117.1930	0.274	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Co<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<7>,1|C<3>,1|H<1>}	116.6165	1.254	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cr<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cr<6>,1|C<3>,1|H<1>}	117.2720	0.000	1	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<3>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<3>,1|C<3>,1|H<1>}	117.5545	0.422	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<4>,1|C<3>,1|H<1>}	117.0803	0.719	6	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cu<5>,1|C<3>,1|H<1>}	117.3522	0.275	10	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Fe<6>,1|C<3>,1|H<1>}	117.2269	0.271	11	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	115.7460	0.000	1	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Hg<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Hg<5>,1|C<3>,1|H<1>}	117.1945	1.346	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	117.4924	0.817	19	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	117.6660	0.000	1	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	117.8970	1.574	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<5>,1|C<3>,1|H<1>}	117.3720	0.071	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	117.3139	0.493	21	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<6>,1|C<3>,1|H<1>}	116.7212	0.490	6	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mo<7>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mo<7>,1|C<3>,1|H<1>}	116.4718	0.426	5	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.6420	0.000	1	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<4>,1|C<3>,1|H<1>}	117.3611	0.778	8	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ni<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ni<6>,1|C<3>,1|H<1>}	117.2709	1.071	18	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Os<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Os<6>,1|C<3>,1|H<1>}	116.7037	0.666	4	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	117.7641	1.032	15	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	117.2213	1.350	15	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	117.3212	0.480	5	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<5>,1|C<3>,1|H<1>}	117.2385	0.190	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.0206	0.690	30	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	116.7240	0.584	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Rh<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	117.3880	0.330	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	116.4846	1.980	27	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	116.8400	0.066	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<9>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	116.9660	0.000	1	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Sn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Sn<6>,1|C<3>,1|H<1>}	117.5920	0.030	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.6740	0.337	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	116.8285	0.605	2	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	116.8830	0.000	1	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<8>,1|Ru<9>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<8>,1|C<3>,1|H<1>}	117.4400	0.000	1	117.1541	1.025	248	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	118.3830	0.110	2	118.3830	0.012	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.5174	0.539	5	117.3499	0.887	53	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	117.2318	0.999	32	117.3499	0.887	53	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.4254	0.354	5	117.3499	0.887	53	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	117.1395	1.073	2	117.3499	0.887	53	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	116.7790	0.822	5	117.3499	0.887	53	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Pt<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<6>,1|C<3>,1|H<1>}	118.5200	0.000	1	117.3499	0.887	53	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	116.8830	0.000	1	117.3499	0.887	53	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	117.4165	0.132	2	117.3499	0.887	53	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.2903	0.542	3	118.0308	0.305	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	117.3870	0.000	1	118.0308	0.305	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|H<1>,2|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	117.8960	0.000	1	118.0308	0.305	5	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	119.3577	0.242	3	119.3577	0.058	3	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]N[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]N[6]Br)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.5023	0.322	3	118.5023	0.104	3	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.6370	0.000	1	119.6370	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	116.2660	0.000	1	118.1369	2.136	41	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.9910	0.255	2	118.1369	2.136	41	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.5906	1.743	23	118.1369	2.136	41	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	116.8660	0.000	1	118.1369	2.136	41	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	118.0011	0.552	7	118.1369	2.136	41	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.2800	0.728	2	118.1369	2.136	41	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	117.8690	0.000	1	118.1369	2.136	41	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<9>,1|C<3>,1|H<1>}	117.4420	0.000	1	118.1369	2.136	41	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.0117	0.396	3	118.1369	2.136	41	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CHHN){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>}	119.9270	0.000	1	119.9270	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	118.0110	0.455	2	118.1560	0.097	4	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.3010	0.017	2	118.1560	0.097	4	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHN)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.2280	0.000	1	118.2280	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.8010	0.126	2	118.8010	0.016	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.6840	0.000	1	118.2400	0.394	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	117.7960	0.000	1	118.2400	0.394	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.6862	0.301	9	118.1215	0.497	17	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	117.7700	0.000	1	118.1215	0.497	17	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<4>,1|C<3>,1|H<1>}	117.1520	0.000	1	118.1215	0.497	17	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	117.9085	0.023	2	118.1215	0.497	17	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.7310	0.000	1	118.1215	0.497	17	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<4>,1|C<3>,1|H<1>}	117.2510	0.000	1	118.1215	0.497	17	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<5>,1|C<3>,1|H<1>}	116.8140	0.000	1	118.1215	0.497	17	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.3540	0.000	1	118.1215	0.497	17	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>}	118.1770	0.287	2	118.1442	0.161	14	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ir<8>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	118.7020	0.000	1	118.1442	0.161	14	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pd<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	118.0505	0.373	6	118.1442	0.161	14	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.5010	0.129	2	118.1442	0.161	14	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.4340	0.000	1	118.1442	0.161	14	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<5>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<5>,1|C<3>,1|H<1>}	118.1120	0.404	2	118.1442	0.161	14	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHO)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CHHO){3|N<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]N[5]N[6])(C[6]C[6]C)(H){1|Fe<6>,1|H<1>,1|N<3>,2|C<3>}	120.1735	0.458	6	120.1735	0.210	6	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHP)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHP){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.3810	0.000	1	117.3810	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHP)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(CHHP){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	118.5905	0.117	2	118.5905	0.014	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHP)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Mn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Mn<6>,1|C<3>,1|H<1>}	117.2095	0.070	2	117.3732	0.050	4	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHP)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHP){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	117.5370	0.197	2	117.3732	0.050	4	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHHS)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHHS){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Rh<8>,1|C<3>,1|H<1>}	116.2593	2.777	3	116.2593	7.712	3	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHOO)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHOO){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.7820	0.000	1	118.7820	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHOO)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHOO){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.2400	0.000	1	118.2400	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CHOP)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CHOP){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.8700	0.000	1	117.8700	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNOV)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CNOV){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	119.0660	0.000	1	119.0660	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]2H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]2H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	117.9250	0.000	1	117.9250	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]HH){1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,3|H<1>}	118.9440	0.000	1	118.9440	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.7845	0.487	4	117.6840	0.177	6	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|H<1>}	117.3190	0.000	1	117.6840	0.177	6	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<4>,1|C<3>,1|H<1>}	117.6470	0.000	1	117.6840	0.177	6	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5]HH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CN[5]HH){1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Zn<6>,1|H<1>,1|N<3>,2|C<3>}	118.8295	2.554	4	118.8295	6.523	4	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5a]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CN[5a]HH){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.2540	0.025	2	118.2540	0.001	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5a]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5a]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.6640	0.243	2	118.6640	0.059	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[5a]HH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[5a]HH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Re<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Re<6>,1|C<3>,1|H<1>}	118.5330	0.000	1	118.5330	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	118.4590	0.269	2	117.9105	1.121	31	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	118.6643	0.594	17	117.9105	1.121	31	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Cd<6>,1|C<3>,1|H<1>}	116.8360	0.299	5	117.9105	1.121	31	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|H<1>}	116.5932	0.373	6	117.9105	1.121	31	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CN[6]HH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CN[6]HH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zn<6>,1|C<3>,1|H<1>}	117.2750	0.000	1	117.9105	1.121	31	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CNiHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CNiHH){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	117.5980	0.000	1	117.5980	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CSeHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CSeHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.2185	0.555	2	116.8317	0.603	3	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CSeHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CSeHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	116.0580	0.000	1	116.8317	0.603	3	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CSi2H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CSi2H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	116.2180	0.000	1	116.2180	0.000	1	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CSiHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CSiHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	116.3420	0.233	2	116.3420	0.054	2	117.1549	1.389	1959	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	115.9655	0.199	2	117.6642	1.019	10	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.0085	0.591	6	117.6642	1.019	10	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.3300	0.129	2	117.6642	1.019	10	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	117.8365	0.596	2	118.0898	0.208	4	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.3430	0.115	2	118.0898	0.208	4	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|O<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|H<1>}	117.1970	0.000	1	117.1970	0.000	1	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.2135	0.211	2	118.3780	0.051	4	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.5425	0.026	2	118.3780	0.051	4	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]Bi)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Bi<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Bi)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.8535	0.644	2	119.8535	0.415	2	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.9435	0.132	2	119.9435	0.017	2	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.1909	0.619	8	118.1909	0.383	8	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	116.9130	0.000	1	116.9130	0.000	1	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	117.6450	0.000	1	117.6450	0.000	1	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|P<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	116.0290	0.081	2	116.0290	0.006	2	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	116.8955	0.838	4	116.9940	0.476	6	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|S<3>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	117.1910	0.399	2	116.9940	0.476	6	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.0766	1.125	28	118.8194	1.046	47	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.4402	0.721	19	118.8194	1.046	47	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]Sn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<4>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Sn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	116.8932	0.329	4	116.8626	0.209	15	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]Sn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Sn<5>,1|C<3>,1|C<4>}	C[6](C[6]C[6]Sn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	116.8515	0.510	11	116.8626	0.209	15	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.2060	0.045	2	118.2060	0.002	2	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|H<1>,2|C<3>}	119.1245	1.334	2	119.1245	1.780	2	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCCH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.7615	0.296	2	119.7615	0.088	2	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|H<1>,1|O<2>}	118.2565	0.573	4	118.2565	0.328	4	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	117.9933	0.735	6	117.9933	0.540	6	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	117.7160	0.507	8	118.1423	1.861	9	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){3|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	121.5530	0.000	1	118.1423	1.861	9	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|H<1>,1|O<2>}	118.4930	0.281	2	118.4930	0.079	2	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	118.5649	0.690	33	118.5649	0.476	33	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.1376	0.311	16	119.1376	0.097	16	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.1283	1.183	4	119.1283	1.401	4	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6x3]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|C<7>}	C[6](C[6]C[6x3]C[6])(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<7>,4|C<6>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.2410	0.007	2	119.2410	0.000	2	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.0667	0.340	4	119.0667	0.115	4	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>}	118.2110	0.000	1	118.2110	0.000	1	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	119.8027	0.295	20	119.8027	0.087	20	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]Br)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|Br<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.7210	0.000	1	120.7210	0.000	1	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	120.4165	0.429	2	120.4165	0.184	2	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	120.1105	0.268	2	120.1105	0.072	2	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHN){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	121.2530	0.000	1	121.2530	0.000	1	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	121.1530	0.000	1	121.1530	0.000	1	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CHHO){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	121.0340	0.000	1	121.0340	0.000	1	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5]2H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|H<1>}	120.0810	0.000	1	120.0810	0.000	1	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|H<1>}	118.8430	0.000	1	118.8430	0.000	1	118.6128	1.335	220	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	117.0790	0.000	1	117.0790	0.000	1	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.2300	0.387	2	117.2300	0.150	2	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHP){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	119.0850	0.000	1	119.0850	0.000	1	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.0450	0.000	1	118.0450	0.000	1	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|As<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|As<4>,1|C<3>,1|H<1>}	119.8520	0.000	1	119.8520	0.000	1	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	118.5778	0.098	5	118.5778	0.010	5	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]2)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]2)(H){2|H<1>,3|C<3>}	117.8710	0.000	1	117.8710	0.000	1	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	117.1400	0.000	1	118.5525	13.480	12	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	116.9450	0.000	1	118.5525	13.480	12	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	118.8545	3.983	10	118.5525	13.480	12	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]D)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|D<1>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]D)(H){1|C<3>,2|H<1>}	117.2330	0.000	1	117.2330	0.000	1	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Br<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|Br<1>,1|C<3>,1|H<1>}	115.8100	0.000	1	117.0691	0.387	40	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	115.5520	0.000	1	117.0691	0.387	40	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.0840	0.331	7	117.0691	0.387	40	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	115.8190	0.192	2	117.0691	0.387	40	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.2475	0.480	29	117.0691	0.387	40	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]N)(H){1|C<3>,2|H<1>}	117.9730	0.000	1	117.9730	0.000	1	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	118.1658	0.570	8	118.1079	0.252	11	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	117.8190	0.000	1	118.1079	0.252	11	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	118.0210	0.345	2	118.1079	0.252	11	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]U)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|U<16>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]U)(H){1|C<3>,2|H<1>}	115.1840	0.000	1	115.1840	0.000	1	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|Cl<1>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	117.9760	0.000	1	117.9760	0.000	1	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	118.4130	0.000	1	118.4130	0.000	1	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	117.7687	0.290	3	117.7687	0.084	3	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.7086	1.906	33	117.7086	3.634	33	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	118.0361	0.413	7	118.0361	0.170	7	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.0760	0.079	2	118.0760	0.006	2	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHP){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.1030	0.000	1	117.1030	0.000	1	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHS){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.4307	0.834	3	117.4307	0.695	3	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.5040	0.000	1	117.5040	0.000	1	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6]CH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	117.7240	1.170	4	117.7240	1.370	4	117.6756	2.524	134	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:S-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]C)(N[6]N[6]B)(S)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<1>}	C[6](C[6]C[6]C)(N[6]N[6]B)(S){1|C<3>,1|H<1>}	118.9515	1.170	2	118.9515	1.370	2	118.9515	1.370	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.6130	0.000	1	116.6130	0.000	1	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.0800	0.000	1	116.8810	0.284	3	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.7815	0.713	2	116.8810	0.284	3	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.3455	0.537	2	118.3455	0.288	2	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.1965	0.551	4	117.1965	0.303	4	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.0990	0.215	2	117.0990	0.046	2	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Au)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Au<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Au)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.4585	0.650	2	118.4585	0.422	2	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.6056	1.282	9	118.6395	1.472	10	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Ir<9>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ir<9>,1|H<1>,1|N<3>,1|O<2>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	118.9450	0.000	1	118.6395	1.472	10	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.1050	0.000	1	119.1050	0.000	1	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	119.0974	0.825	12	119.0974	0.681	12	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Ru<9>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.9465	0.923	2	118.9465	0.852	2	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.2760	0.000	1	116.2760	0.000	1	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cr)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cr<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cr)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.9105	0.073	2	116.9105	0.005	2	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.6959	0.452	14	116.7468	0.158	21	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.8486	0.254	7	116.7468	0.158	21	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Eu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Eu<13>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Eu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.4530	0.467	2	116.4530	0.218	2	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.1724	0.522	13	117.1724	0.272	13	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Hg<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.8420	0.099	2	116.8420	0.010	2	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.5811	0.483	7	116.5811	0.233	7	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.0990	0.089	4	117.0533	0.028	6	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.9620	0.301	2	117.0533	0.028	6	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Os)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Os<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Os)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.0961	0.898	9	117.0961	0.807	9	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.1110	0.000	1	118.1110	0.000	1	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.9902	0.560	19	116.9780	0.271	22	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.9007	0.127	3	116.9780	0.271	22	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.0256	0.222	12	117.0256	0.049	12	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.7757	0.530	11	116.7757	0.281	11	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.3177	1.144	4	116.9841	2.708	9	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.9685	0.022	2	116.9841	2.708	9	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.8830	2.602	3	116.9841	2.708	9	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.7796	0.491	8	117.7796	0.241	8	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ni<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.2570	0.945	9	117.2570	0.893	9	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ru<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.8005	0.336	2	117.8005	0.113	2	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.0445	0.955	11	117.0445	0.912	11	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.4436	1.276	9	116.4436	1.628	9	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.8660	0.640	14	117.8660	0.410	14	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Re<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.5950	0.000	1	117.5950	0.000	1	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Cu<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	115.2195	1.515	2	115.2195	2.296	2	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.3523	0.344	3	118.3523	0.118	3	117.2937	1.059	216	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CCCH){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,1|O<1>}	117.1590	0.000	1	117.1590	0.000	1	117.4225	0.139	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]O)(CH3){1|Br<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|Br<1>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){1|C<3>,1|C<4>,1|O<1>}	117.6860	0.000	1	117.6860	0.000	1	117.4225	0.139	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O){2|Cl<1>,1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	118.4530	0.000	1	118.4530	0.000	1	118.4530	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	119.1640	0.000	1	119.1640	0.000	1	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|O<2>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	116.3660	0.000	1	116.3660	0.000	1	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(O){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	118.1290	0.000	1	118.1290	0.000	1	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	116.5451	0.756	8	116.5761	0.509	9	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|O<1>,2|C<3>}	116.8240	0.000	1	116.5761	0.509	9	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	117.1787	0.126	3	117.3775	0.169	4	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	117.9740	0.000	1	117.3775	0.169	4	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	116.5723	0.416	3	116.5723	0.173	3	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	118.4810	0.000	1	119.1010	0.769	2	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[5])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	119.7210	0.000	1	119.1010	0.769	2	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	117.2373	0.942	4	117.2373	0.887	4	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,2|O<1>}	116.6775	0.416	2	116.6775	0.173	2	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	118.6395	0.319	8	118.3797	0.325	11	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|N<3>,1|O<1>}	117.6870	0.530	3	118.3797	0.325	11	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	116.1970	0.000	1	116.1970	0.000	1	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	117.4775	0.673	6	117.4775	0.452	6	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|O<1>}	119.3120	0.000	1	119.3120	0.000	1	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	118.5433	0.411	26	118.5240	0.172	27	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	118.0230	0.000	1	118.5240	0.172	27	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,1|N<3>,1|O<1>}	119.3990	0.000	1	119.3990	0.000	1	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|O<1>}	118.3403	0.106	3	118.3403	0.011	3	117.9181	0.976	77	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]CC)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(CC[6a]CC){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|H<1>,1|O<1>}	120.8800	0.000	1	120.8800	0.000	1	121.0175	0.038	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|C<3>,1|O<1>,1|O<2>}	121.1550	0.000	1	121.1550	0.000	1	121.0175	0.038	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[6a]HN){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	119.1865	0.368	2	119.1865	0.136	2	117.1145	0.948	113	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]B)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<3>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.6640	0.181	2	117.6640	0.033	2	117.1145	0.948	113	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.4450	0.000	1	117.4450	0.000	1	117.1145	0.948	113	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.3224	0.680	8	117.3526	0.563	16	117.1145	0.948	113	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<3>,2|H<1>}	116.0570	0.255	2	117.3526	0.563	16	117.1145	0.948	113	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.8248	0.299	6	117.3526	0.563	16	117.1145	0.948	113	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	116.3645	0.422	40	116.3645	0.178	40	117.1145	0.948	113	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.4772	0.975	49	117.4608	0.946	50	117.1145	0.948	113	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	116.6540	0.000	1	117.4608	0.946	50	117.1145	0.948	113	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	118.7675	0.388	2	118.7675	0.151	2	117.1145	0.948	113	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	117.1965	0.161	2	117.1965	0.026	2	117.5068	0.161	6	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|H<1>,1|N<3>,1|S<1>}	117.6620	0.404	4	117.6620	0.163	4	117.5068	0.161	6	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]O)2(CCHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]O)2(CCHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|N<3>,2|O<1>}	114.3300	0.000	1	114.3300	0.000	1	114.3300	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3){1|B<4>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]C)(H){2|Br<1>,1|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.2300	0.000	1	119.2300	0.000	1	117.0366	0.995	14	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,1|H<1>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|H<1>,2|N<3>}	118.9680	0.000	1	118.9680	0.000	1	117.0366	0.995	14	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|C<4>}	C[6](N[5,6]C[5,6]B[5])(C[6]C[6]C)(H){1|Cl<1>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>}	117.1745	0.023	2	117.1745	0.001	2	117.0366	0.995	14	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[5,6]C[5,6]C[5])(C[6]C[6]C)(H){1|Si<5>,1|C<3>,1|O<2>,3|H<1>}	C[6](C[6]C[5,6]N)(C[6]C[6]C)(H){1|H<1>,1|N<3>,1|O<2>}	116.4663	0.799	4	116.4663	0.638	4	117.0366	0.995	14	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]C)(H){3|Cl<1>,1|H<1>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	116.5745	0.284	4	116.6835	0.077	6	117.0366	0.995	14	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3)	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5,6]H)(C[6]C[6]H)(CH3){1|In<6>,1|C<3>,1|H<1>}	C[6](N[5,6]C[5,6]In[5])(C[6]C[6]C)(H){3|Cl<1>,1|H<1>,1|N<3>,1|O<3>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	116.9015	0.053	2	116.6835	0.077	6	117.0366	0.995	14	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(CH3)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]H)(CH3){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|H<1>,1|N<2>,3|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|N<3>}	118.9880	0.000	1	118.9880	0.000	1	118.9880	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3)	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3){1|B<4>,1|C<3>,1|H<1>}	C[6](N[6,6]C[6,6]B[6])(C[6]C[6]C)(H){1|F<1>,1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	116.5830	0.000	1	116.5830	0.000	1	117.2287	0.379	3	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]N[6,6]H)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	117.5515	0.366	2	117.5515	0.134	2	117.2287	0.379	3	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	116.4084	0.377	9	116.4084	0.142	9	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.3620	0.000	1	117.3620	0.000	1	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.6115	0.623	2	117.6115	0.388	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Pt<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.8155	1.675	2	117.8155	2.806	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Ru<9>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.1360	0.000	1	118.1360	0.000	1	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CCHH){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.8460	0.000	1	116.8460	0.000	1	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5]HH)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CC[5]HH){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.2060	0.000	1	117.2060	0.000	1	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CClHH){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	115.7745	3.150	2	115.7745	9.924	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	119.9150	0.000	1	120.0313	0.011	3	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CF3){1|Pd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<4>}	120.0895	0.035	2	120.0313	0.011	3	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|B<6>,1|C<3>,1|H<1>}	C[6](N[6]B[3,3,5,3x6]C[6])(C[6]C[6]C)(H){1|Rh<6>,1|B<5>,1|C<3>,1|H<2>,2|B<6>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.6350	0.000	1	117.6350	0.000	1	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Al)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Al<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.3070	0.000	1	116.3546	0.296	5	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Al)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Al<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Al)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	116.1165	0.130	4	116.3546	0.296	5	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Ca)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ca<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ca)(C[6]C[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Al<4>,1|H<1>,1|N<3>}	116.0277	0.368	6	116.0277	0.135	6	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.9720	0.458	4	116.9720	0.210	4	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.4273	0.149	4	117.3733	0.065	6	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Co<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.2655	0.474	2	117.3733	0.065	6	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	116.5660	0.131	3	116.6369	0.404	15	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	117.0200	0.000	1	116.6369	0.404	15	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	115.8793	0.996	3	116.6369	0.404	15	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.8997	0.413	8	116.6369	0.404	15	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	116.5720	0.658	2	116.9037	0.546	3	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Cu<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.5670	0.000	1	116.9037	0.546	3	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Eu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Eu<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Eu)(C[6]C[6]C)(H){1|Sn<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sn<4>,1|H<1>,1|N<3>}	116.1643	0.065	3	116.1643	0.004	3	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.2060	0.000	1	116.6565	0.440	14	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	117.2766	0.674	5	116.6565	0.440	14	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	116.4828	0.216	6	116.6565	0.440	14	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	116.0410	0.000	1	116.6565	0.440	14	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Fe<8>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	115.6640	0.000	1	116.6565	0.440	14	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ga)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.1697	0.489	8	117.1697	0.239	8	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Hg<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Hg)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	116.7380	0.704	8	116.7380	0.496	8	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Li)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]C)(H){1|Al<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Al<4>,1|H<1>,1|N<3>}	116.1367	0.332	3	116.1466	0.539	18	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Li)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	115.9903	0.315	3	116.1466	0.539	18	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Li)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]C)(H){1|Sn<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Sn<3>,1|H<1>,1|N<3>}	116.1882	0.887	12	116.1466	0.539	18	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Li)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Li<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Li)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.0222	0.193	4	117.0222	0.037	4	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Mg)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mg<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mg)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.2550	0.392	4	116.9352	0.371	6	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Mg)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mg<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mg)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	116.2955	0.405	2	116.9352	0.371	6	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	115.5985	0.310	2	116.5027	0.660	7	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	115.7900	0.000	1	116.5027	0.660	7	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.1330	0.208	4	116.5027	0.660	7	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	116.9315	0.462	2	116.9315	0.213	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mo<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mo)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.6280	0.000	1	116.6280	0.000	1	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Mo)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Mo<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mo)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.6144	0.222	8	117.6144	0.049	8	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	116.1590	0.000	1	116.5273	0.563	9	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.5734	0.788	8	116.5273	0.563	9	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ni<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.1347	0.355	9	117.1347	0.126	9	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	117.0770	0.262	2	117.1417	0.047	3	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.2710	0.000	1	117.1417	0.047	3	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|N<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	117.5640	0.156	4	117.5640	0.024	4	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<2>,1|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	118.3510	0.000	1	117.2797	0.920	9	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.1457	0.931	8	117.2797	0.920	9	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.6820	1.097	2	116.6820	1.204	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.3100	1.079	8	117.3100	1.165	8	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.1869	0.659	12	117.1869	0.435	12	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Re<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.6852	0.364	6	117.6852	0.132	6	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Rh<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.5380	0.000	1	117.5380	0.000	1	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	115.1975	1.497	4	116.6800	4.587	8	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ru)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.1625	1.613	4	116.6800	4.587	8	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.1525	0.544	2	117.1525	0.296	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Si<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.4108	0.268	4	117.4108	0.072	4	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Ti)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ti<12>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ti)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.9228	0.218	4	117.9228	0.048	4	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	115.7150	0.000	1	116.3042	0.244	5	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.4843	0.513	3	116.3042	0.244	5	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.3530	0.000	1	116.3042	0.244	5	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.0736	0.186	7	117.1202	0.113	9	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Zn<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.2835	0.794	2	117.1202	0.113	9	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	C[6](N[6]Ga[3x6]C[6])(C[6]C[6]C)(H){1|C<3>,2|H<1>,3|S<2>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.1300	0.164	7	117.1300	0.027	7	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.3753	0.284	6	117.3289	0.135	24	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Br<1>,2|Se<2>,1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.4322	0.433	12	117.3289	0.135	24	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){1|Ga<4>,1|C<3>,1|C<4>}	C[6](N[6]Ga[6]C[6])(C[6]C[6]C)(H){1|Cl<1>,1|C<3>,2|H<1>,2|S<2>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|H<1>}	117.0757	0.153	6	117.3289	0.135	24	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](N[6]C[6]Ag)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Ag<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ag)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.0885	0.322	2	117.0885	0.104	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Cd<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.3140	0.000	1	117.3140	0.000	1	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.0240	0.000	1	117.8415	0.067	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.6590	0.000	1	117.8415	0.067	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.6840	0.356	5	117.6840	0.127	5	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.5490	0.232	3	117.6870	0.112	4	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHN){1|Zn<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.1010	0.000	1	117.6870	0.112	4	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.4380	0.000	1	118.1145	0.209	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Cu<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.7910	0.000	1	118.1145	0.209	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.7490	0.000	1	117.1535	0.709	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.5580	0.000	1	117.1535	0.709	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.4506	0.702	8	118.4506	0.493	8	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.6305	0.534	2	117.6305	0.285	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](N[6]C[6]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Re<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Re)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.9840	0.000	1	117.9840	0.000	1	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO)	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CHHO){1|Rh<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.7460	0.522	2	117.7460	0.272	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5]HH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.4105	0.148	2	117.4105	0.022	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.3710	0.000	1	117.6200	0.124	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[5a]HH){1|Zn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.8690	0.000	1	117.6200	0.124	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6a]HH)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CN[6a]HH){1|Cd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	117.7970	1.387	2	117.7970	1.925	2	117.0696	0.801	304	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NH3)	C[6](C[6]C[6]C)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,2|H<1>}	121.8600	0.000	1	121.8600	0.000	1	122.1630	0.184	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)2(NH3){1|C<2>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]N)(C[6]C[6]O)(H){1|C<3>,1|H<1>}	122.4660	0.000	1	122.4660	0.000	1	122.1630	0.184	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(NH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	120.7657	0.524	4	120.7657	0.274	4	120.7657	0.274	4	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PC[6a]3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(PC[6a]3){1|N<3>,2|H<1>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	119.7850	0.000	1	119.7850	0.000	1	118.4670	0.448	14	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PC[6a]NO)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)2(PC[6a]NO){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.5935	0.009	2	118.5935	0.000	2	118.4670	0.448	14	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(PO3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H){1|Pt<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|H<1>}	118.2496	0.507	5	118.3084	0.420	9	118.4670	0.448	14	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(PO3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]P)(H){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|Ru<6>,1|C<3>,1|H<1>}	118.3820	0.874	4	118.3084	0.420	9	118.4670	0.448	14	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(PO3){1|N<3>,2|H<1>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	117.9190	0.000	1	117.9190	0.000	1	118.4670	0.448	14	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(PO3)	C[6](C[6]C[6]P)(C[6]N[6]H)(H)	C[6](C[6]C[6]P)(C[6]N[6]P)(H)	C[6](C[6]C[6]H)2(PO3){1|H<1>,1|N<3>,1|P<4>}	C[6](C[6]C[6]P)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)(C[6]N[6]P)(H){1|C<3>,2|H<1>}	118.8710	0.000	1	118.8710	0.000	1	118.4670	0.448	14	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(PC3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(PC3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(O){1|C<3>,2|H<1>}	118.1270	0.000	1	118.1270	0.000	1	120.3930	10.270	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(PC[6a]3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(PC[6a]3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(O){1|C<3>,2|H<1>}	122.6590	0.000	1	122.6590	0.000	1	120.3930	10.270	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.2860	0.000	1	118.2860	0.000	1	117.8055	0.183	4	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|H<1>,2|C<3>}	117.4455	0.030	2	117.6453	0.120	3	117.8055	0.183	4	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	118.0450	0.000	1	117.6453	0.120	3	117.8055	0.183	4	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3)	C[6](C[6]C[6]P)(N[6]C[6]H)(H)	C[6](C[6]C[6]P)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(PO3){1|C<3>,1|H<1>,1|P<4>}	C[6](C[6]C[6]P)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]P)2(H){1|N<3>,2|H<1>}	118.0305	0.207	2	118.0305	0.043	2	118.0305	0.043	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:Cl-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]Cl)(C[6]C[6]O)(SO3)	C[6](C[6]C[6]O)(C[6]C[6]S)(Cl)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O)	C[6](C[6]C[6]Cl)(C[6]C[6]O)(SO3){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]O)(C[6]C[6]S)(Cl){1|Cl<1>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(O){2|Cl<1>,1|C<3>}	118.5415	0.334	2	118.5415	0.112	2	118.5415	0.112	2	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SCOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SCOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	119.7500	0.000	1	119.7500	0.000	1	120.0854	0.485	28	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SC[5]OO){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>}	121.0640	0.000	1	121.0640	0.000	1	120.0854	0.485	28	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[6]OO)	C[6](C[6]C[6]Br)(C[6]C[6]S)(H)	C[6](C[6]C[6]Br)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SC[6]OO){2|Br<1>,1|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	119.9115	0.535	4	119.9115	0.287	4	120.0854	0.485	28	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[6]OO)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SC[6]OO){2|Cl<1>,1|C<3>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Cl)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	120.6372	0.310	4	120.6372	0.096	4	120.0854	0.485	28	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	119.6604	0.284	10	119.7775	0.223	11	120.0854	0.485	28	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SC[6a]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SC[6a]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	120.9480	0.000	1	119.7775	0.223	11	120.0854	0.485	28	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SNOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SNOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	120.4430	0.880	2	120.4430	0.774	2	120.0854	0.485	28	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SN[5]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SN[5]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	120.5695	1.719	2	120.5695	2.955	2	120.0854	0.485	28	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SN[6]OO)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SN[6]OO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	120.9020	0.000	1	120.9020	0.000	1	120.0854	0.485	28	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)2(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,2|C<3>}	119.8540	0.000	1	119.8540	0.000	1	120.0854	0.485	28	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(SO3)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]S)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(SO3){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]S)(C[6]N[6]H)(H){1|Co<6>,1|C<3>,1|H<1>}	119.0490	0.000	1	119.0490	0.000	1	120.0854	0.485	28	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]S)2(O){1|C<3>,2|H<1>}	122.3580	0.287	2	122.3580	0.082	2	122.2648	0.173	5	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SNOO){1|C<3>,1|C<4>,1|S<4>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]S)2(O){1|C<3>,2|H<1>}	122.4565	0.439	2	122.4565	0.193	2	122.2648	0.173	5	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SO3)	C[6](C[6]C[6]N)(C[6]C[6]S)(H)	C[6](C[6]C[6]N)(C[6]C[6]S)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SO3){1|C<3>,2|N<3>}	C[6](C[6]C[6]N)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]N)(C[6]C[6]S)(O){1|C<3>,2|H<1>}	121.6950	0.000	1	121.6950	0.000	1	122.2648	0.173	5	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|H<1>,1|N<1>,1|N<3>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<1>}	119.4710	0.000	2	119.3700	0.031	3	119.3700	0.031	3	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	119.1680	0.000	1	119.3700	0.031	3	119.3700	0.031	3	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6]Cl)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(Cl)	C[6](C[6]C[6]Cl)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|Cl<1>,1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(Cl){1|N<3>,2|H<1>}	117.4100	0.000	1	117.4100	0.000	1	117.4100	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](N[6]C[6]Co)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|Co<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	119.7213	0.076	3	119.7213	0.006	3	119.6716	0.070	7	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:S-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3)	C[6](N[6]C[6]Ni)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SO3){1|Ni<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ni)(C[6]C[6]S)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(H){1|N<3>,2|H<1>}	119.6343	0.362	4	119.6343	0.131	4	119.6716	0.070	7	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(SiC[6a]3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]Si)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(SiC[6a]3){3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]Si)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6,6a]C)(C[6]C[6]Si)(O){1|H<1>,2|C<3>}	118.7200	0.000	1	118.7200	0.000	1	118.7200	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC[6]CC)	C[6](C[6]C[6]Si)(C[6]C[6]O)(H)	C[6](C[6]C[6]Si)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC[6]CC){1|Si<4>,1|C<3>,1|O<1>}	C[6](C[6]C[6]Si)(C[6]C[6]O)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]Si)2(O){1|C<3>,2|H<1>}	117.8775	0.341	8	117.8775	0.116	8	117.8775	0.116	8	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SiSiCC)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]Si)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SiSiCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]Si)(N[6]C[6]H)(H){1|C<3>,2|H<1>}	115.4900	0.000	1	115.4900	0.000	1	115.4900	0.000	1	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SiC3)	C[6](C[6]C[6]Si)(N[6]C[6]Fe)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SiC3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(N[6]C[6]Fe)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	114.7120	0.000	1	114.7120	0.000	1	116.1279	0.266	11	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SiC3)	C[6](C[6]C[6]Si)(N[6]C[6]Pd)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SiC3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(N[6]C[6]Pd)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.0820	0.409	2	116.0820	0.167	2	116.1279	0.266	11	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(SiC[6]2C)	C[6](C[6]C[6]Si)(N[6]C[6]Pd)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(SiC[6]2C){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(N[6]C[6]Pd)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.3164	0.169	8	116.3164	0.028	8	116.1279	0.266	11	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)2(SiC3)	C[6](C[6]C[6]Si)(N[6]C[6]Ir)(H)	C[6](C[6]C[6]Si)(N[6]C[6]Ir)(H)	C[6](C[6]N[6]H)2(SiC3){2|Ir<6>,1|C<3>}	C[6](C[6]C[6]Si)(N[6]C[6]Ir)(H){1|N<3>,2|H<1>}	C[6](C[6]C[6]Si)(N[6]C[6]Ir)(H){1|N<3>,2|H<1>}	115.5673	1.110	3	115.5673	1.231	3	115.5673	1.231	3	117.3797	1.714	3253	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH)	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[5,6]C[5,6]C[5])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	117.8590	0.365	2	117.8590	0.133	2	117.8590	0.133	2	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CF3)	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O)	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(OC)	C[6](C[6]C[5a,6]O)(C[6]C[6]O)(CF3){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(O){1|O<2>,4|C<3>}	C[6](C[6]C[5a,6]O)(C[6]C[6]C)(OC){1|O<1>,2|C<3>}	121.5540	0.000	1	121.5540	0.000	1	121.5540	0.000	1	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OC){1|C<3>,1|C<4>,1|O<1>}	117.6430	0.000	1	117.6430	0.000	1	116.8775	0.268	4	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>,2|O<2>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	116.5010	0.000	1	116.6223	0.011	3	116.8775	0.268	4	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	116.6670	0.000	1	116.6223	0.011	3	116.8775	0.268	4	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(OH){1|C<3>,1|C<4>,1|O<1>}	116.6990	0.000	1	116.6223	0.011	3	116.8775	0.268	4	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN)	C[6](C[6]C[6,6a]H)(C[6]N[6]N)(CH3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6a]O)(C[6]C[6]C)(NN){1|H<1>,2|C<3>}	118.4780	0.000	1	118.4780	0.000	1	118.4780	0.000	1	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCCH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	118.4420	0.049	2	118.4420	0.002	2	118.9028	0.432	17	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC[6a]){1|O<1>,2|C<3>}	118.2040	0.006	2	118.2040	0.000	2	118.9028	0.432	17	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	119.6197	0.303	3	119.5600	0.075	4	118.9028	0.432	17	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	119.3810	0.000	1	119.5600	0.075	4	118.9028	0.432	17	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OOs)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CCHH){1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OOs){1|O<1>,2|C<3>}	119.6260	0.000	1	119.6260	0.000	1	118.9028	0.432	17	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC){1|O<1>,2|C<3>}	118.1650	0.218	2	118.1650	0.047	2	118.9028	0.432	17	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6a]CH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	118.8640	0.713	4	118.8640	0.508	4	118.9028	0.432	17	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OC){1|O<1>,2|C<3>}	118.8900	0.000	1	118.8900	0.000	1	118.9028	0.432	17	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){2|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	119.5130	0.000	1	119.5130	0.000	1	118.9028	0.432	17	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a])	C[6](C[6]C[6,6a]O)(C[6]C[6]S)(CH3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|S<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(SC[6a]){1|O<1>,2|C<3>}	119.8326	0.378	14	119.8326	0.143	14	119.8326	0.143	14	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,2|H<1>}	119.4460	0.000	1	119.4460	0.000	1	119.4460	0.000	1	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(NV)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)2(NV){1|C<3>,2|H<1>}	118.3615	0.385	2	118.3615	0.149	2	118.5485	0.255	4	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)2(NC){1|C<3>,2|H<1>}	118.7355	0.689	2	118.7355	0.475	2	118.5485	0.255	4	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(OAl)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OAl){1|C<3>,2|H<1>}	118.9780	0.178	2	118.9780	0.032	2	118.0298	0.770	6	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OH){1|C<3>,2|H<1>}	118.1900	0.000	1	118.1900	0.000	1	118.0298	0.770	6	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(OP[6])	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|O<2>}	C[6](C[6]C[6]C)2(OP[6]){1|C<3>,1|H<1>}	117.1260	0.000	1	117.1260	0.000	1	118.0298	0.770	6	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|P<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<3>,2|H<1>}	117.4535	0.715	2	117.4535	0.511	2	118.0298	0.770	6	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(NS)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NS){1|C<3>,2|H<1>}	118.5583	0.131	3	118.5583	0.017	3	118.5583	0.017	3	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6])	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<2>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6]){1|C<3>,2|H<1>}	117.2575	0.073	2	117.2575	0.005	2	117.2575	0.005	2	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(SCd)	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(SCd){1|C<3>,2|H<1>}	118.9657	0.354	3	118.9657	0.125	3	118.9754	0.104	5	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(SZn)	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3){1|Zn<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<2>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(SZn){1|C<3>,2|H<1>}	118.9900	0.404	2	118.9900	0.164	2	118.9754	0.104	5	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<3>,1|C<4>,1|O<1>}	116.6360	0.000	1	116.6360	0.000	1	116.6360	0.000	1	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)2(OZn)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OZn){1|N<3>,2|H<1>}	119.7550	0.000	1	119.7550	0.000	1	119.7550	0.000	1	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Co<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	116.9000	0.000	1	116.9000	0.000	1	116.7616	0.548	34	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Cu<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	116.3900	0.099	2	116.7602	0.684	25	116.7616	0.548	34	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	116.7923	0.856	23	116.7602	0.684	25	116.7616	0.548	34	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	117.0240	0.700	3	117.0240	0.490	3	116.7616	0.548	34	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	116.6190	0.137	3	116.6190	0.019	3	116.7616	0.548	34	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	116.1820	0.000	1	116.5305	0.243	2	116.7616	0.548	34	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|Zn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	116.8790	0.000	1	116.5305	0.243	2	116.7616	0.548	34	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:2:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(OH)	C[6](C[6]C[6]O)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]H)(C[6]C[6]S)(OH){1|N<3>,2|H<1>}	119.0940	0.000	1	119.0940	0.000	1	119.0940	0.000	1	118.0879	1.868	97	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3)	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH)	C[6](C[6]C[5,6]O)(C[6]C[6]N)(CH3){1|C<3>,1|N<3>,1|O<1>}	C[6](C[5,6]C[5,6]N[5,5])(C[6]C[6]C)(O){1|C<3>,1|N<3>,3|C<4>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(NHH){1|C<3>,1|C<4>,1|O<1>}	120.5260	0.000	1	120.5260	0.000	1	120.5260	0.000	1	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]N)(CC[6a]CH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(NC[6a]H){1|O<1>,2|C<3>}	119.0500	0.000	1	119.0500	0.000	1	119.0500	0.000	1	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Sm<12>,1|P<3>,3|C<3>}	C[6](C[6]C[6]C)(C[6]P[6]H)(CHH){1|Sm<12>,1|C<3>,1|H<1>}	121.7050	0.000	1	121.7050	0.000	1	121.7050	0.000	1	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(NZnC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	C[6](C[6]C[6]C)2(NZnC){1|C<3>,1|H<1>}	116.8260	0.000	1	116.8260	0.000	1	118.0817	1.032	7	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)2(NTiC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(NTiC){1|C<3>,2|H<1>}	119.3240	0.000	1	119.3240	0.000	1	118.0817	1.032	7	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]N)(NCH){1|C<3>,2|H<1>}	119.0840	0.000	1	119.0840	0.000	1	118.0817	1.032	7	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]N)(NC[6]H){1|C<3>,2|H<1>}	117.1650	0.000	1	117.1650	0.000	1	118.0817	1.032	7	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]N)(NOO){1|C<3>,2|H<1>}	117.2240	0.000	1	117.2240	0.000	1	118.0817	1.032	7	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(NC[6a]Fe)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(NC[6a]Fe){1|C<3>,2|H<1>}	118.4745	0.425	2	118.4745	0.181	2	118.0817	1.032	7	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCH){1|C<3>,2|H<1>}	118.0330	0.000	1	118.0330	0.000	1	118.0635	0.002	2	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CCN){1|C<3>,2|H<1>}	118.0940	0.000	1	118.0940	0.000	1	118.0635	0.002	2	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(CCC)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Ir<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(CCC){1|C<3>,2|H<1>}	118.5258	0.721	4	118.5258	0.520	4	117.3904	1.134	14	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Ni<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(CCN){1|C<3>,2|H<1>}	116.5362	0.465	4	116.5362	0.216	4	117.3904	1.134	14	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHN){1|C<3>,2|H<1>}	116.7095	0.660	4	116.7095	0.436	4	117.3904	1.134	14	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Zn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CCN){1|C<3>,2|H<1>}	118.1900	0.160	2	118.1900	0.026	2	117.3904	1.134	14	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:S-3:	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(SCd2)	C[6](C[6]C[6]H)(C[6]N[6]S)(CF3){1|Cd<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,1|N<3>,1|S<3>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(SCd2){1|C<3>,2|H<1>}	118.0260	0.000	1	118.0260	0.000	1	118.0260	0.000	1	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	118.2293	0.232	3	118.2293	0.054	3	115.7882	1.033	33	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO){1|N<3>,2|H<1>}	115.5440	0.677	30	115.5440	0.458	30	115.7882	1.033	33	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Cd<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cd)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	117.4690	0.180	2	117.4690	0.032	2	117.4570	0.047	9	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]C)2(NCC){1|C<4>,1|H<1>,1|N<3>}	117.4140	0.130	2	117.4140	0.017	2	117.4570	0.047	9	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(NCH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(NCH){1|N<3>,2|H<1>}	117.4668	0.327	4	117.4668	0.107	4	117.4570	0.047	9	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|Zn<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NHH){1|N<3>,2|H<1>}	117.4800	0.000	1	117.4800	0.000	1	117.4570	0.047	9	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:N-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(NH3)	C[6](C[6]C[6]N)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(NH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(NHH){1|N<3>,2|H<1>}	120.9090	0.293	5	120.9090	0.086	5	120.9090	0.086	5	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(PTiCC)	C[6](C[6]C[6]C)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]Ti)	C[6](C[6]C[6]H)(C[6]C[6]N)(PTiCC){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]P)(NC[6]Ti){1|C<3>,2|H<1>}	120.4400	0.000	1	120.4400	0.000	1	120.4400	0.000	1	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-3:	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(N[6]C[6]H)(COO)	C[6](C[6]C[6]H)(C[6]N[6]C)(PO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]P)(N[6]C[6]H)(COO){1|C<3>,2|H<1>}	117.6070	0.000	1	117.6070	0.000	1	117.6070	0.000	1	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO)	C[6](C[6]C[6]S)(N[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	120.5370	0.201	2	120.5370	0.040	2	119.8920	0.597	6	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H)	C[6](C[6]C[6]N)(C[6]N[6]H)(SNOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NC[6a]H){1|N<3>,2|H<1>}	120.1105	0.639	2	120.1105	0.408	2	119.8920	0.597	6	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:3:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH)	C[6](C[6]C[6]N)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NHH){1|N<3>,2|H<1>}	119.0285	0.347	2	119.0285	0.121	2	119.8920	0.597	6	117.3846	3.545	82	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,1|O<2>}	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	119.9730	0.000	1	119.9730	0.000	1	119.9730	0.000	1	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]H)(C[6]N[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](N[6]C[6,6]Ru)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]H)(C[6]N[6]C)(CH3){1|Ru<5>,2|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,2|N<3>}	C[6](N[6]C[6,6]Ru)(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|N<3>}	116.5370	1.239	2	116.5370	1.535	2	116.5370	1.535	2	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|O<2>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	120.3490	0.000	1	120.3490	0.000	1	120.4590	0.015	4	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CC[6a]HH){1|O<1>,2|C<3>}	120.5630	0.037	2	120.5630	0.001	2	120.4590	0.015	4	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CH3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(CCHH){1|O<1>,2|C<3>}	120.3610	0.000	1	120.3610	0.000	1	120.4590	0.015	4	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(H){1|C<4>,1|S<2>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,2|C<3>}	119.6410	0.000	1	119.6410	0.000	1	119.8316	2.676	39	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	118.7690	0.428	23	118.7690	0.183	23	119.8316	2.676	39	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(H){1|Cu<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	118.6115	0.021	2	118.6115	0.000	2	119.8316	2.676	39	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<2>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|C<4>,1|P<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|C<3>,1|H<1>}	122.1490	0.359	2	122.1707	0.186	12	119.8316	2.676	39	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|C<4>,1|P<3>,1|W<6>,2|C<3>}	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|C<3>,1|H<1>,1|W<6>}	122.0567	0.256	3	122.1707	0.186	12	119.8316	2.676	39	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Mn<5>,1|C<4>,1|P<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Mn<5>,1|C<3>,1|H<1>}	122.7310	0.007	2	122.1707	0.186	12	119.8316	2.676	39	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Sm<12>,1|C<4>,1|P<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Sm<12>,1|C<3>,1|H<1>}	122.0330	0.000	1	122.1707	0.186	12	119.8316	2.676	39	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Tm<12>,1|C<4>,1|P<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Tm<12>,1|C<3>,1|H<1>}	122.4130	0.574	2	122.1707	0.186	12	119.8316	2.676	39	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]C)(H){1|Yb<12>,1|C<4>,1|P<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Yb<12>,1|C<3>,1|H<1>}	121.6295	0.267	2	122.1707	0.186	12	119.8316	2.676	39	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	118.8350	0.000	1	118.8350	0.000	1	119.8316	2.676	39	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	117.3590	0.150	2	117.3590	0.022	2	117.3590	0.022	2	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CH3){1|C<3>,2|H<1>}	119.1540	0.000	1	119.1540	0.000	1	117.9797	0.189	14	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,2|H<1>}	117.8894	0.285	13	117.8894	0.081	13	117.9797	0.189	14	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3){1|C<3>,2|H<1>}	118.4330	0.239	2	118.4330	0.057	2	118.4330	0.057	2	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[5a]N[6])(C[6]C[6]C)(O){1|Pd<4>,1|C<4>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH){1|Pd<4>,1|C<3>,1|O<1>}	119.0270	0.000	1	119.0270	0.000	1	119.6413	0.417	3	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[5a]C[6])(C[6]C[6]C)(O){1|C<4>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|O<1>,2|C<3>}	119.9485	0.517	2	119.9485	0.267	2	119.6413	0.417	3	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	118.9555	0.036	2	118.9555	0.001	2	117.9589	0.323	25	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	117.8722	0.504	23	117.8722	0.254	23	117.9589	0.323	25	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	N[6,6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](N[6]C[6,6]Cu)(C[6]C[6]C)(CH3)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Cu<5>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Cu)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	120.8540	0.000	1	120.8540	0.000	1	120.4530	0.246	4	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	N[6,6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](N[6]C[6,6]Mn)(C[6]C[6]C)(CH3)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CCHH){1|Mn<6>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Mn)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	119.7800	0.000	1	119.7800	0.000	1	120.4530	0.246	4	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	N[6,6]-3:C[6]-3:O-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CH3)	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](N[6]C[6,6]Ni)(C[6]C[6]C)(CH3)	C[6](C[6]N[6,6]O)(C[6]N[6]C)(CH3){1|Ni<5>,2|C<3>}	C[6](N[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](N[6]C[6,6]Ni)(C[6]C[6]C)(CH3){1|C<3>,1|N<3>,1|O<1>}	120.5890	0.297	2	120.5890	0.088	2	120.4530	0.246	4	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	118.4270	0.731	4	118.4270	0.534	4	118.3988	0.241	8	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	118.1340	0.000	1	118.1340	0.000	1	118.3988	0.241	8	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pt)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	118.4560	0.000	1	118.4560	0.000	1	118.3988	0.241	8	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Si)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Si)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	118.4580	0.000	1	118.4580	0.000	1	118.3988	0.241	8	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]Ti)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Ti<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ti)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	118.4340	0.000	1	118.4340	0.000	1	118.3988	0.241	8	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:S-4:	C[6](C[6]C[6]H)(C[6]C[6]S)(PC[6a]3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]O)(C[6]C[6]P)(SCOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(PC[6a]3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](C[6]C[6]O)(C[6]C[6]P)(SCOO){1|C<3>,2|H<1>}	117.9520	0.000	1	117.9520	0.000	1	117.9520	0.000	1	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:N-4:	C[6](C[6]C[6]H)(C[6]C[6]N)(SO3)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(SO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<3>,1|H<1>,1|N<4>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NH3){1|C<3>,2|H<1>}	118.3140	0.000	1	118.3140	0.000	1	118.3140	0.000	1	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	3:3:4:	C[6]-3:C[6]-3:S-4:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]H)(SO3)	C[6](C[6]C[6]S)(N[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH)	C[6](C[6]C[6]C)(C[6]N[6]H)(SO3){1|C<3>,2|H<1>}	C[6](C[6]C[6]S)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(CCHH){1|N<3>,2|H<1>}	119.4870	0.362	2	119.4870	0.131	2	119.4870	0.131	2	118.9237	2.124	108	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]ScH)(C[6]C[6]B)(H)	C[6](C[6]C[6]H)2(BC[6a]3){1|Sc<13>,1|C<4>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|Sc<13>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]ScH)(C[6]C[6]B)(H){1|C<3>,1|H<1>,1|H<2>}	115.3450	0.000	1	115.3450	0.000	1	115.3775	0.002	2	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiH)(C[6]C[6]B)(H)	C[6](C[6]C[6]H)2(BC[6a]3){1|Ti<12>,1|C<4>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|Ti<12>,1|C<4>,2|H<1>}	C[6](C[6]C[6]TiH)(C[6]C[6]B)(H){1|C<3>,2|H<1>}	115.4100	0.000	1	115.4100	0.000	1	115.3775	0.002	2	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]ZrC)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<12>,1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<12>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]ZrC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	118.9970	0.000	1	119.0930	0.076	3	119.0930	0.076	3	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]ZrC)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<9>,1|C<3>,2|C<4>}	C[6](C[5,6]C[5,6a]C[5,6])(C[6]C[6]C)(H){1|Zr<9>,1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5,6]ZrC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	119.1410	0.371	2	119.0930	0.076	3	119.0930	0.076	3	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]ThN)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3){1|Th<17>,1|N<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|Th<17>,1|C<3>,1|H<1>,1|O<3>,3|C<4>}	C[6](C[6]C[6,6]ThN)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<3>}	118.4330	1.278	2	118.4330	1.634	2	118.4330	1.634	2	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[5,6]O)(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[5,6]C[6,6a]C[5]O[5])(C[6]C[6]C)(O){3|H<1>,4|C<3>}	118.4130	0.000	1	118.4130	0.000	1	118.4130	0.000	1	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CBrHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CBrHH){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6a]C[6]O[6])(C[6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	118.7960	0.000	1	118.7960	0.000	1	117.8755	1.695	2	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CHHO)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6,6]O)(CHHO){1|O<2>,3|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6,6]C[6,6,6a]C[6,6a]O)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	116.9550	0.000	1	116.9550	0.000	1	117.8755	1.695	2	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	120.4475	0.745	2	119.9927	0.898	3	119.3582	0.916	6	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(O){1|H<1>,2|C<3>}	119.0830	0.000	1	119.9927	0.898	3	119.3582	0.916	6	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]C[5]C)(C[6]C[6]C)(O){1|C<4>,1|H<1>,4|C<3>}	118.4830	0.000	1	118.4830	0.000	1	119.3582	0.916	6	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]H)(C[6]C[6]O)(CH3){1|C<4>,3|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]C)(O){1|H<1>,4|C<3>}	118.8440	0.530	2	118.8440	0.281	2	119.3582	0.916	6	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CC3){1|Co<5>,1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6])(C[6]C[6]C)(H){1|Co<5>,1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6a]C[6]Co)(C[6]C[6]C)(H){1|H<1>,1|O<2>,3|C<3>}	117.3840	0.000	1	117.3840	0.000	1	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCCH){1|Pd<5>,3|C<4>}	C[6](C[6]C[6]C)2(H){1|Pd<5>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.3220	0.000	1	118.3220	0.000	1	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.6360	0.000	1	116.6360	0.000	1	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]HW)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|W<10>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|W<10>,1|C<4>,1|H<1>}	C[6](C[6]C[6]HW)(C[6]C[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	118.1020	0.000	1	118.1020	0.000	1	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]IrH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]IrH)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	116.8950	0.000	1	116.8950	0.000	1	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]MoH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Mo<10>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Mo<10>,1|Si<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]MoH)(C[6]C[6]C)(H){1|Si<4>,1|C<3>,1|H<1>}	118.3260	0.000	1	118.3260	0.000	1	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NV)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|C<4>,1|H<1>,1|N<3>,1|V<9>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<4>,1|V<9>}	C[6](C[6]C[6]NV)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<4>}	118.5387	0.094	4	118.5387	0.009	4	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<3>,1|Ni<4>,1|C<4>,1|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]C)(H){1|Ni<3>,1|C<3>,1|H<1>}	117.2720	0.000	1	117.9330	0.874	2	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]NiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ni<4>,1|C<4>,2|H<1>}	C[6](C[6]C[6]NiH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	118.5940	0.000	1	117.9330	0.874	2	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]PY)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Y<11>,1|C<4>,1|H<1>,1|P<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Y<11>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]PY)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	118.3410	0.000	1	118.3410	0.000	1	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ThH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Th<14>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Th<14>,1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]ThH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	117.0670	0.000	1	117.0670	0.000	1	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]TiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ti<11>,1|C<4>,1|H<1>,1|H<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Ti<11>,1|H<1>,2|C<4>}	C[6](C[6]C[6]TiH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	117.5370	0.000	1	117.5370	0.000	1	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]ZrH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<14>,1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Zr<14>,1|C<4>,1|H<1>}	C[6](C[6]C[6]ZrH)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	117.3680	0.000	2	117.3680	0.000	2	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]N[6]CY)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Y<16>,1|C<4>,1|C<5>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|Y<16>,1|C<4>,1|H<1>}	C[6](C[6]N[6]CY)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	117.7385	0.332	2	117.7385	0.110	2	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]N[6]IrN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<7>,1|C<4>,1|H<1>}	C[6](C[6]N[6]IrN)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	119.8160	0.132	2	119.8160	0.017	2	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]N[6]NY)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Y<15>,1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Y<15>,1|C<4>,1|H<1>}	C[6](C[6]N[6]NY)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	117.7790	0.000	1	117.7790	0.000	1	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]N[6]RhRu)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Rh<8>,1|Ru<9>,1|H<1>,1|N<4>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<8>,1|Ru<9>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RhRu)(C[6]C[6]C)(H){1|Ru<8>,1|C<3>,1|H<1>}	117.1570	0.000	1	117.1570	0.000	1	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]N[6]RuN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ru<10>,1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<10>,1|C<4>,1|H<1>}	C[6](C[6]N[6]RuN)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	119.2030	0.506	2	119.2030	0.256	2	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]N[6]ZrN)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<12>,1|H<1>,2|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Zr<12>,1|C<4>,1|H<1>}	C[6](C[6]N[6]ZrN)(C[6]C[6]C)(H){1|C<3>,1|H<1>}	118.7458	0.293	8	118.7458	0.086	8	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]NiC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CH3){1|Ni<4>,3|C<4>}	C[6](C[6]C[6]C)2(H){1|Ni<4>,1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]NiC)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	118.0530	0.000	1	118.0530	0.000	1	118.2305	0.660	34	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	118.1160	0.191	2	118.1160	0.036	2	119.0443	0.597	7	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	119.5288	0.541	4	119.5288	0.293	4	119.0443	0.597	7	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]OO)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,2|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(O){1|C<3>,2|H<1>}	118.9630	0.000	1	118.9630	0.000	1	119.0443	0.597	7	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	S[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]S[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](S[6]N[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]S[6]H)(CH3){1|C<4>,1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|C<3>,1|H<1>,1|S<4>}	C[6](S[6]N[6]OO)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	121.5450	0.000	1	121.5450	0.000	1	121.5450	0.000	1	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3)	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|N<3>,2|H<1>}	119.0670	0.000	1	119.0670	0.000	1	119.0670	0.000	1	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:1:	C[6]-3:C[6]-3:S-4:	C[6,6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]S)(H)	C[6](C[6]C[6,6]OO)(C[6]C[6]S)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(SC[6a]OO){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]S)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>,2|O<2>}	C[6](C[6]C[6,6]OO)(C[6]C[6]S)(O){1|C<3>,1|O<2>,2|H<1>}	122.0320	0.000	1	122.0320	0.000	1	122.0320	0.000	1	118.5167	1.454	60	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|H<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6,6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	119.1000	0.464	2	119.1000	0.215	2	119.1000	0.215	2	119.2475	0.101	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CC[6]HH){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,2|C<3>,2|O<2>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(OH){1|O<1>,2|C<3>}	119.4280	0.000	1	119.4280	0.000	1	119.4280	0.000	1	119.2475	0.101	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CO)(C[6]C[6]C)(NC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(NC){1|C<3>,2|H<1>}	119.3620	0.000	1	119.3620	0.000	1	119.3620	0.000	1	119.2475	0.101	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6]-4:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]CC)(C[6]C[6]C)(NIrH)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(NIrH){1|C<3>,2|H<1>}	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	118.7190	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:1:	5:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:O-1:	C[6]-5:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]N[5]OsO)(C[6]C[6]C)(OOs)	C[6](C[6]C[6,6a]O)(C[6]C[6]O)(CH3){1|Os<10>,1|N<3>,1|O<2>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<5>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6,6a]N[5]OsO)(C[6]C[6]C)(OOs){1|N<3>,1|O<1>,3|C<3>}	119.6110	0.000	1	119.6110	0.000	1	119.6110	0.000	1	119.6110	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(NC)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCHH){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NC){1|C<2>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<2>}	117.0260	0.000	1	117.0260	0.000	1	117.0260	0.000	1	117.0260	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6a]-3:C[6]-3:O[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]O[6])(C[6]C[6]H)(BC[6a]3)	C[6](C[6a]C[6a]2)(C[6]C[6]B)(O[6]C[6])	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6a]O[6])(C[6]C[6]H)(BC[6a]3){1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]B)(O[6]C[6]){1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<3>,2|O<2>}	114.5495	0.206	2	114.5495	0.042	2	114.5495	0.042	2	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a,6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3)	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN)	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5a,6]C)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,1|O<2>}	C[6](C[5a,6]N[5a,6]O[5a])(C[6]C[6]C)(CN){1|H<1>,3|C<3>}	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(H){1|C<2>,2|C<3>}	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC)	C[6](N[6]C[6,6a]Pt)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CCHH){1|Pt<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Pt)(C[6]C[6]C)(H){1|C<2>,2|C<3>}	118.9520	1.066	2	118.9520	1.137	2	118.9520	1.137	2	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:F-1:	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CN)	C[6](C[6]C[6]C)2(F)	C[6](C[6]C[6]C)(C[6]C[6]F)(CF3){1|C<2>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CN){1|C<2>,1|C<3>,1|F<1>}	C[6](C[6]C[6]C)2(F){1|C<3>,2|C<2>}	119.1300	0.000	1	119.1300	0.000	1	119.1300	0.000	1	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]N)(CN)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]N)(CN){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<2>,1|C<3>,1|C<4>}	118.0370	0.000	1	118.0370	0.000	1	118.0370	0.000	1	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C[6](C[6]C[6]C)2(NC)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)2(NC){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|N<2>}	118.0290	0.000	1	118.0290	0.000	1	118.1380	0.024	2	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]H)(NO)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NO){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|C<4>,1|N<2>}	118.2470	0.000	1	118.2470	0.000	1	118.1380	0.024	2	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	117.6975	0.455	2	117.6975	0.207	2	117.2900	0.393	22	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|O<2>,2|C<3>}	117.2067	0.139	4	117.2067	0.019	4	117.2900	0.393	22	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	117.2110	0.318	2	117.2110	0.101	2	117.2900	0.393	22	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]CH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	117.4500	0.379	3	117.4500	0.144	3	117.2900	0.393	22	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	116.9197	0.732	4	116.9400	0.404	5	117.2900	0.393	22	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)(C[6]C[6]H)(OH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	117.0210	0.000	1	116.9400	0.404	5	117.2900	0.393	22	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|C<3>,2|O<2>}	117.4530	0.277	2	117.4530	0.077	2	117.2900	0.393	22	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]CH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|O<1>,1|O<2>}	116.6140	1.022	2	116.6140	1.045	2	117.2900	0.393	22	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C)	C[6](C[6]C[6]C)(C[6]C[6]H)(OC)	C[6](C[6]C[6]C)(C[6]C[6]O)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[5a]2C){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(OC){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(H){1|C<3>,1|O<1>,1|O<2>}	118.9400	0.000	1	118.9400	0.000	1	117.2900	0.393	22	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[6]HH)	C[6](C[6]C[6]C)(C[6]N[6]O)(OIr)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CN[6]HH){1|H<1>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]O)(OIr){1|Ir<8>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ir<8>,1|C<3>,1|O<2>}	117.6120	0.000	1	117.6120	0.000	1	117.2900	0.393	22	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CCCH){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|O<2>}	117.2367	0.311	3	117.2367	0.097	3	117.9048	0.728	8	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(OC)	C[6](C[6]C[6]C)(C[6]C[6]N)(O)	C[6](C[6]C[6]O)2(CCHH){1|C<3>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OC){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]N)(O){1|O<2>,2|C<3>}	118.3000	0.000	1	118.3000	0.000	1	117.9048	0.728	8	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|O<2>,2|C<3>}	117.1400	0.000	1	117.1400	0.000	1	117.9048	0.728	8	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(OH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(OH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|O<2>}	117.9470	0.000	1	117.9470	0.000	1	117.9048	0.728	8	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CH3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(OH){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|H<1>,1|O<2>}	119.0705	0.320	2	119.0705	0.103	2	117.9048	0.728	8	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]H)(SMo)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(CHHO){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(SMo){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|S<2>}	118.7590	0.000	1	118.7590	0.000	1	118.7590	0.000	1	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]S)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]S)(SPt)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]O)(C[6]C[6]S)(CC3){1|C<3>,1|O<1>,1|S<2>}	C[6](C[6]C[6]C)(C[6]C[6]S)(SPt){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,1|C<4>,1|S<2>}	113.0395	1.148	2	113.0395	1.317	2	113.0395	1.317	2	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]C)(N[6]N[6]B)(SCu)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(N[6]N[6]B)(SCu){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	116.7589	0.278	9	116.7589	0.077	9	116.7603	0.392	17	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]C)(N[6]N[6]B)(SZn)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|B<4>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(N[6]N[6]B)(SZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	116.9325	1.026	4	116.9325	1.052	4	116.7603	0.392	17	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:S-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3)	C[6](C[6]C[6]C)(N[6]N[6]H)(SZn)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]S)(CH3){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(N[6]N[6]H)(SZn){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){1|N<3>,1|S<2>}	116.5913	0.867	4	116.5913	0.752	4	116.7603	0.392	17	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]N[6]H)(CCCH){1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|C<4>,1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){1|C<4>,1|N<2>,4|C<3>}	116.1130	0.000	1	116.1130	0.000	1	116.1130	0.000	1	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|N<2>}	115.7650	2.578	2	115.7650	6.647	2	115.7650	6.647	2	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:O-2:	C[6]-3:N[6]-3:H-1:	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(OPd)	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]N[6]H)(C[6]N[6]O)(CH3){1|Pd<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(OPd){1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|N<3>,1|O<1>,1|O<2>}	117.7675	0.390	2	117.7675	0.152	2	117.7675	0.152	2	117.1206	1.708	64	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-2:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)(C[6]N[6]O)(NN)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<3>,1|C<4>,1|N<2>}	C[6](C[6]C[6]C)(C[6]N[6]O)(NN){1|C<2>,1|C<3>,1|C<4>}	118.0377	0.332	10	118.0377	0.110	10	118.0377	0.110	10	117.8839	0.359	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:S-2:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[6]S)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(SC)	C[6](C[6]C[6]C)(C[6]N[6]H)(SC)	C[6](C[6]C[6]S)2(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(SC){1|Ni<5>,1|C<3>,1|S<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(SC){1|Ni<5>,1|C<3>,1|S<2>}	116.3460	0.000	1	116.3460	0.000	1	116.3460	0.000	1	117.8839	0.359	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(N[6]N[6])	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){2|C<3>,2|N<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(N[6]N[6]){2|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	118.4253	0.634	3	118.4253	0.402	3	118.4253	0.402	3	117.6400	0.523	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6])	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6]){1|Pt<4>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	117.3360	0.000	1	117.3332	0.334	8	117.3332	0.334	8	117.6400	0.523	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6])	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){1|N<2>,1|N<3>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(C[6]C[6]C)(N[6]N[6]){1|Pt<6>,1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	117.3329	0.625	7	117.3332	0.334	8	117.3332	0.334	8	117.6400	0.523	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-2:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6])	C[6](N[6]C[6]Os)(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6])(C[6]N[6]C)(CH3){1|Os<7>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]){1|C<4>,1|N<3>,2|H<1>,3|C<3>}	C[6](N[6]C[6]Os)(C[6]C[6]C)(CH3){1|N<2>,2|C<3>}	117.7380	0.000	1	117.7380	0.000	1	117.7380	0.000	1	117.6400	0.523	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCCH){1|Ni<4>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	117.9450	0.000	1	117.9450	0.000	1	118.8766	0.522	13	118.8766	0.522	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP){1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<3>,2|N<2>}	119.0282	0.779	9	118.9373	0.528	11	118.8766	0.522	13	118.8766	0.522	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CCHH){1|Ni<4>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	118.5280	0.126	2	118.9373	0.528	11	118.8766	0.522	13	118.8766	0.522	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Ni<4>,1|C<3>,2|C<4>}	C[6](N[6]C[6]Ni)(C[6]C[6]C)(NP){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|N<2>,2|N<3>}	119.1410	0.000	1	119.1410	0.000	1	118.8766	0.522	13	118.8766	0.522	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CCC)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CCC){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|H<1>,2|C<3>}	116.0480	0.000	1	116.0480	0.000	1	116.0480	0.000	1	117.9643	4.704	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|C<2>,1|C<4>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){2|C<3>}	120.3190	0.000	1	120.3190	0.000	1	120.3190	0.000	1	117.9643	4.704	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCHH){1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N[5]C[5]2){1|Rh<6>,1|C<2>,1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|H<1>,1|N<3>}	117.5260	0.000	1	117.5260	0.000	1	117.5260	0.000	1	117.9643	4.704	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C[6a])(C[6]C[6]H)(CH3){1|C<4>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5,6]C[5,6]O[5])(C[6a]C[6a]2)(C[6]C[6]C){2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|C<4>,3|C<3>}	121.8585	0.093	2	121.8585	0.009	2	121.8585	0.009	2	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO)	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>,2|N<2>}	C[6](C[5]N[5]2)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	119.1600	0.000	1	119.1600	0.000	1	119.1600	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(CH3)	C[6](C[5a]N[5a]2)(N[6]C[6]Mg)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5a]N[6])(C[6]C[6]H)(CH3){1|Mg<6>,1|C<3>,1|H<1>,1|N<2>,1|N<3>}	C[6](C[5a]N[5a]2)(N[6]C[6]Mg)(C[6]C[6]C){1|N<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.8495	0.378	2	116.8495	0.143	2	116.8495	0.143	2	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]C[6]H)(CC3){1|O<1>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CC[6a]2){2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(H){3|C<3>}	115.4700	0.808	2	115.4700	0.652	2	115.4700	0.652	2	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CCHH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CCHH){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){3|C<3>}	120.1670	0.000	1	120.1670	0.000	1	119.9393	0.137	3	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(CH3){1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]C)(O){3|C<3>}	119.8255	0.442	2	119.8255	0.195	2	119.9393	0.137	3	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|O<2>,2|C<3>}	117.2002	0.063	4	117.2002	0.004	4	117.2002	0.004	4	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHN){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	119.0968	0.635	8	119.0968	0.403	8	119.0968	0.403	8	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	N[5a,6]-3:C[6]-3:H-1:	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]C)(COO)	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H)	C[6](C[6]N[5a,6]H)(C[6]C[6]C)(CH3){3|C<3>}	C[6](C[6]C[5a,6]C[6a])(C[6]C[6]C)(COO){1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](N[5a,6]C[5a,6a]C[5a,6])(C[6]C[6]C)(H){1|N<2>,4|C<3>}	118.3370	0.000	1	118.3370	0.000	1	118.3370	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CC[6]CH){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){2|O<1>,5|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	121.0070	0.000	1	121.0070	0.000	1	119.6280	0.779	5	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CH3)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(CH3){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|C<4>,4|C<3>}	119.2832	0.496	4	119.2832	0.246	4	119.6280	0.779	5	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<4>,1|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>}	120.8480	0.000	1	120.8480	0.000	1	120.7300	0.028	2	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN)	C[6](C[6]C[6]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CHHN){1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)2{1|C<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|C<3>}	120.6120	0.000	1	120.6120	0.000	1	120.7300	0.028	2	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]2)(C[6]C[6]O)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]C)(C[6]C[6]H){1|H<1>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	119.5420	0.000	1	119.5420	0.000	1	119.5420	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO)	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6]N)(C[6]N[6]H)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(NOO){1|H<1>,1|N<2>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|C<3>,1|N<2>,1|N<3>}	114.9050	0.000	1	114.9050	0.000	1	114.9050	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]C)2(N[5]C[5]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CCCH){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(N[5]C[5]2){1|Rh<4>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|N<3>}	116.5510	0.000	1	116.5510	0.000	1	116.5510	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]N[6]H)(CH3){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(N[6]C[6]2){1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	115.2610	0.000	1	115.2610	0.000	1	115.2610	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[5a,6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(CF3)	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]C[5a,6]O)(CF3){1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[5a,6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|Cl<1>,1|N<2>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[5a,6]C[5a,6]N[5a,6])(C[6]C[6]C)(O){1|C<4>,1|N<2>,3|C<3>}	123.5370	0.000	1	123.5370	0.000	1	123.5370	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH)	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]C[6,6a]O)(CCCH){1|O<1>,4|C<3>}	C[6](C[6]C[6,6a]O)(C[6a]C[6a]2)(C[6]C[6]C){1|H<1>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(O){1|H<1>,4|C<3>}	122.0146	0.339	5	122.0146	0.115	5	122.0146	0.115	5	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Ru<6>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]C[6]Ru)(C[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.4050	0.076	2	117.4050	0.006	2	117.4050	0.006	2	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC)	C[6](C[6]C[6]C)(C[6]N[6]C)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CC[6a]HH){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(N[6]N[6]H)(NCC){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(H){2|N<3>}	116.7270	0.000	1	116.7270	0.000	1	117.2531	0.637	23	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.2829	0.828	21	117.2829	0.686	21	117.2531	0.637	23	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CHHO){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.1550	0.000	1	117.1550	0.000	1	117.2531	0.637	23	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){3|N<3>}	119.1770	0.000	1	119.1770	0.000	1	119.1770	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]2)(CC[6a]HH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]2)(N[6]C[6]H){2|C<3>,2|C<4>,5|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.9650	0.000	1	117.9650	0.000	1	117.9650	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){2|C<3>,3|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|Pd<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)2(H){1|Pd<4>,3|C<3>}	119.4390	0.000	1	119.4390	0.000	1	119.2663	0.156	3	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]Fe)(C[6]C[6]C)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){1|Fe<9>,2|C<3>,2|C<4>}	C[6](C[6a]C[6a]2)(C[6]C[6]Fe)(C[6]C[6]C){1|H<1>,3|C<3>,3|C<4>}	C[6](C[6]C[6]C)2(H){1|Fe<9>,1|C<4>,2|C<3>}	119.5450	0.000	1	119.5450	0.000	1	119.2663	0.156	3	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]N[6]H){1|Ir<6>,3|C<3>,3|H<1>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(H){1|Ir<6>,4|C<3>}	118.8150	0.000	1	118.8150	0.000	1	119.2663	0.156	3	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6a]C[6])(C[6]C[6]O)(CCCH){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]O){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(O){1|H<1>,2|C<3>}	118.9855	0.474	2	118.9855	0.225	2	118.9855	0.225	2	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(N[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){2|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(H){1|H<1>,2|C<3>}	118.6963	0.299	12	118.6963	0.089	12	118.8982	0.208	16	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(N[6]C[6]O)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]O)(H){1|H<1>,2|C<3>}	119.5040	0.244	4	119.5040	0.059	4	118.8982	0.208	16	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|Rh<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](N[6]C[6]Rh)(C[6]C[6]C)(H){1|H<1>,2|C<3>}	117.7960	0.000	1	117.7960	0.000	1	117.9257	0.039	3	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]C[6])(C[6]N[6]H)(CH3){1|C<4>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,3|C<3>,3|H<1>}	C[6](N[6]C[6a]C[6])(C[6]C[6]C)(H){5|C<3>}	117.9905	0.230	2	117.9905	0.053	2	117.9257	0.039	3	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]O){3|C<3>,4|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	119.1890	0.000	1	119.1890	0.000	1	119.1890	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:N[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]C[6a]N[6])(C[6]N[6]O)(CC[6a]HH){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){1|N<3>,1|O<1>,1|S<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<3>,1|N<3>,1|S<1>}	118.7370	0.000	1	118.7370	0.000	1	118.7370	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(CH3)	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6,6]H)(CH3){1|C<4>,1|N<2>,1|O<1>,2|C<3>}	C[6](C[6a]C[6a]N[6a])(N[6]C[6,6]O)(C[6]C[6]C){1|H<1>,2|C<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(H){1|C<3>,1|N<3>,2|C<4>,2|H<1>}	118.8910	0.412	2	118.8910	0.169	2	118.8910	0.169	2	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]C){1|F<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	116.9700	0.000	1	117.3990	0.368	2	118.0151	0.371	8	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Au<4>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Au)(C[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.8280	0.000	1	117.3990	0.368	2	118.0151	0.371	8	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Ir<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Ir)(C[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.1333	0.464	4	118.1333	0.216	4	118.0151	0.371	8	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Re<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Re)(C[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	118.8840	0.000	1	118.8840	0.000	1	118.0151	0.371	8	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3)	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]N[6])(C[6]C[6]H)(CH3){1|Rh<6>,1|H<1>,3|C<3>}	C[6](C[6a]C[6a]2)(N[6]C[6]Rh)(C[6]C[6]C){3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>,1|N<3>}	117.9060	0.000	1	117.9060	0.000	1	118.0151	0.371	8	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[6,6a]C[6a])(C[6]C[6]H)(CH3)	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H)	C[6](C[6]N[6,6a]C[6a])(C[6]C[6]H)(CH3){1|H<1>,4|C<3>}	C[6](N[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){4|H<1>,5|C<3>}	C[6](C[6]C[6,6a]H)(C[6]C[6]C)(H){1|N<3>,2|C<3>}	119.1700	0.000	1	119.1700	0.000	1	119.1700	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](N[6]C[6]Co)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	116.3468	0.391	4	116.3468	0.153	4	116.2073	0.460	23	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](N[6]C[6]Co)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Co<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<3>}	115.8672	0.834	6	115.8672	0.696	6	116.2073	0.460	23	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](N[6]C[6]Cr)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cr)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<3>}	117.2670	0.000	1	117.2670	0.000	1	116.2073	0.460	23	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](N[6]C[6]Cr)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Cr<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cr)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<3>}	116.4218	0.549	4	116.4218	0.301	4	116.2073	0.460	23	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CCN)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CCHH){1|Fe<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CCN){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|N<3>,2|C<3>}	116.1531	0.674	8	116.1531	0.454	8	116.2073	0.460	23	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	116.8235	0.910	2	116.8235	0.828	2	116.9673	0.457	13	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Cu<3>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	116.8020	0.189	3	116.8020	0.036	3	116.9673	0.457	13	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(NC[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Fe<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(NC[6]H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.3105	0.383	2	117.3105	0.146	2	116.9673	0.457	13	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Ir<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(NCH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.1725	0.252	2	117.1725	0.064	2	116.9673	0.457	13	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]Li)(C[6]C[6]C)(NTiH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Li<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Li)(C[6]C[6]C)(NTiH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.4925	0.227	2	117.4925	0.052	2	116.9673	0.457	13	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Mn<6>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	117.3810	0.000	1	117.3810	0.000	1	116.9673	0.457	13	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(NCN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(NCN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	115.1900	0.000	1	115.1900	0.000	1	116.9673	0.457	13	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(N[5]C[5]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Ir<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	115.7260	0.000	1	116.2443	0.407	3	115.7826	0.725	5	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6]Ir)(C[6]C[6]C)(N[5]C[5]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Ir<7>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Ir)(C[6]C[6]C)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	116.5035	0.641	2	116.2443	0.407	3	115.7826	0.725	5	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(N[5]C[5]2)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]N[5]N[6])(C[6]C[6]H)(CH3){1|Pd<4>,1|H<1>,3|C<3>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(N[5]C[5]2){1|N<3>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|H<1>,2|N<3>}	115.0900	0.699	2	115.0900	0.488	2	115.7826	0.725	5	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]N)(NH3)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]N[6]N)(NH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|N<3>}	120.7278	0.476	4	120.7278	0.227	4	120.7278	0.227	4	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:N-4:	C[6]-3:N[6]-3:N-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]N)(C[6]N[6]O)(NH3)	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH)	C[6](C[6]C[6]N)(N[6]C[6]H)(O)	C[6](C[6]N[6]N)(C[6]N[6]O)(NH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]N)(N[6]C[6]H)(NHH){1|O<1>,2|N<3>}	C[6](C[6]C[6]N)(N[6]C[6]H)(O){3|N<3>}	121.7460	0.000	1	121.7460	0.000	1	121.7460	0.000	1	118.0221	3.181	150	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CCH){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,2|C<3>}	119.8080	0.000	1	119.8080	0.000	1	119.9937	0.218	3	118.7783	2.005	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|C<4>,2|C<3>}	119.6480	0.000	1	120.0865	0.385	2	119.9937	0.218	3	118.7783	2.005	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-2:	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H)	C[6](C[6]C[6]C)(C[6]N[6]O)(CN)	C[6](C[6]C[6]C)2(CH3){1|N<3>,2|O<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CC[5a]H){1|C<2>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(CN){1|H<1>,2|C<3>}	120.5250	0.000	1	120.0865	0.385	2	119.9937	0.218	3	118.7783	2.005	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CC[6a]HH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CC[6a]HH){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){2|H<1>,5|C<3>}	117.3610	0.000	1	117.3610	0.000	1	117.8005	0.386	2	118.7783	2.005	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CH3)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(CH3){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|O<2>,2|H<1>,4|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(O[6]C[6]){1|C<4>,1|H<1>,5|C<3>}	118.2400	0.000	1	118.2400	0.000	1	117.8005	0.386	2	118.7783	2.005	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:2:	C[6]-3:C[6]-3:In-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:O[6]-2:	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(InI3)	C[6](C[6a]C[6a]2)(C[6]C[6]In)(C[6]C[6]H)	C[6](C[6a]C[6a]2)(C[6]C[6]In)(O[6]C[6])	C[6](C[6]C[6a]C[6])(C[6]C[6a]O[6])(InI3){1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]In)(C[6]C[6]H){2|H<1>,2|O<2>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]In)(O[6]C[6]){1|O<2>,2|H<1>,4|C<3>}	117.0880	0.000	1	117.0880	0.000	1	117.0880	0.000	1	118.7783	2.005	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CC[5]HH)	C[6](C[6]C[6]C)2(CHH)	C[6](C[6]C[6]C)2(CHH)	C[6](C[6]C[6]C)2(CC[5]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(CHH){1|C<4>,2|C<3>}	120.4910	0.000	1	120.4910	0.000	1	120.4910	0.000	1	119.2642	5.837	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O)	C[6](C[6]C[6]C)2(NOO)	C[6](C[6]C[6]C)(C[6]C[6]N)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]O){1|C<3>,2|N<3>}	C[6](C[6]C[6]C)2(NOO){1|N<3>,2|C<3>}	117.4340	0.000	1	117.4340	0.000	1	117.4340	0.000	1	119.2642	5.837	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(NOO)	C[6](C[6]C[6]C)2(NOO)	C[6](C[6]C[6]N)2(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(NOO){1|N<3>,2|C<3>}	C[6](C[6]C[6]C)2(NOO){1|N<3>,2|C<3>}	115.3200	0.000	1	115.3200	0.000	1	115.3200	0.000	1	119.2642	5.837	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6a]-3:C[6]-3:N[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]S)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C)	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,1|S<4>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]S){1|N<3>,3|C<3>,4|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(N[6]C[6]C){4|C<3>,4|H<1>}	118.6670	0.368	2	118.6670	0.135	2	118.6670	0.135	2	119.2642	5.837	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6a]-3:P[6]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(CH3)	C[6](C[6a]C[6a]2)(P[6]C[6]Cu)(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6a]C[6])(C[6]C[6a]P[6])(CH3){1|Cu<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(P[6]C[6]Cu)(C[6]C[6]C){1|C<4>,1|H<1>,5|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|P<3>,2|H<1>,4|C<3>}	121.5675	1.100	4	121.5675	1.210	4	121.5675	1.210	4	119.2642	5.837	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CCHH){1|C<4>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,3|C<3>,3|H<1>}	119.6510	0.000	1	119.6510	0.000	1	119.6390	0.000	2	119.2642	5.837	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6a]-3:C[6]-3:C[6]-3:	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CH3)	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6a]C[6])(C[6]C[6a]N[6])(CH3){1|C<4>,6|C<3>}	C[6](N[6]C[6a]C[6])(C[6a]C[6a]2)(C[6]C[6]C){3|H<1>,6|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|N<3>,3|C<3>,3|H<1>}	119.6270	0.000	1	119.6270	0.000	1	119.6390	0.000	2	119.2642	5.837	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:3:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:N-3:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)2(SO3)	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO)	C[6](C[6]C[6]N)2(SO3){1|C<4>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO){1|C<3>,1|H<1>,2|N<3>}	C[6](C[6]C[6]H)(C[6]C[6]S)(NOO){1|C<3>,1|H<1>,2|N<3>}	115.0430	0.000	1	115.0430	0.000	1	115.0430	0.000	1	119.2642	5.837	12	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CC[5]HH)	C[6](C[6]C[6]C)2(CHH)	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)2(CC[5]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CHH){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(CH3){3|C<3>}	120.3935	0.070	2	120.3935	0.005	2	120.3935	0.005	2	118.0405	1.939	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){2|C<3>,2|N<3>}	116.4200	0.342	3	116.4200	0.117	3	116.9959	0.889	11	118.0405	1.939	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<4>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){1|N<2>,1|N<3>,2|C<3>}	116.8830	0.000	1	117.2119	1.041	8	116.9959	0.889	11	118.0405	1.939	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<2>,1|C<4>,1|H<1>,2|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){1|N<2>,1|N<3>,2|C<3>}	116.6090	0.000	1	117.2119	1.041	8	116.9959	0.889	11	118.0405	1.939	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C)	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]N[6])(C[6]C[6]C)(CCHH){1|Pt<6>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]N[6])(N[6]N[6]Pt)(C[6]C[6]C){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6a]N[6])(C[6]C[6]C)(CCHH){1|N<2>,1|N<3>,2|C<3>}	117.3672	1.155	6	117.2119	1.041	8	116.9959	0.889	11	118.0405	1.939	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|C<4>,1|N<2>,1|N<3>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH){1|N<2>,2|C<3>}	118.6550	0.194	3	118.5778	0.049	4	118.5778	0.049	4	118.0405	1.939	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:C-4:	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)2	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH)	C[6](C[6]C[6a]C[6])(C[6]N[6]C)(CCHH){1|C<2>,1|C<4>,3|C<3>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)2{1|Cl<1>,1|C<4>,1|H<1>,1|N<2>,1|N<3>,2|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(CCHH){1|N<2>,2|C<3>}	118.3460	0.000	1	118.5778	0.049	4	118.5778	0.049	4	118.0405	1.939	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6a]-3:C[6]-3:	C[6,6a]-3:C[6]-3:C-4:	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(CH3)	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](C[6]C[6a]N[6])(C[6]C[6,6a]C)(CH3){1|Cu<4>,4|C<3>}	C[6](N[6]C[6,6a]Cu)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,2|H<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|H<1>,1|N<3>,3|C<3>}	119.1995	0.214	4	119.1995	0.046	4	119.1995	0.046	4	118.0405	1.939	21	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH)	C[6](C[6]N[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]C)(CHH){1|C<4>,1|H<1>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(H){1|S<4>,2|C<3>}	120.2750	0.105	2	120.2750	0.011	2	120.2750	0.011	2	120.1567	3.697	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]C)2{2|C<4>,3|H<1>,4|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,3|C<3>}	118.0825	0.291	2	118.0825	0.084	2	118.0825	0.084	2	120.1567	3.697	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(PPdCC)	C[6](C[6]C[6]H)(C[6]C[6]P)(CC[6a]Pd)	C[6](C[6]C[6]BH)(C[6]C[6]P)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(PPdCC){1|B<4>,1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(CC[6a]Pd){1|C<4>,2|H<1>}	C[6](C[6]C[6]BH)(C[6]C[6]P)(H){1|H<1>,2|C<3>}	123.1390	0.000	1	123.1390	0.000	1	123.1390	0.000	1	120.1567	3.697	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:1:	C[6]-3:C[6]-3:S-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]S)	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]S)(O)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]O)(SC[6a]OO){6|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]S){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6,6a]C[6a]2)(C[6]C[6]S)(O){7|C<3>}	121.0860	0.000	1	121.0860	0.000	1	121.0860	0.000	1	120.1567	3.697	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6a]-3:C[6]-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH)	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(CC[6a]2)	C[6](C[6]C[6,6a]C[6a])(C[6]C[6]C)(CCCH){2|C<2>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|H<1>,5|C<3>}	C[6](C[6]C[6,6a]CC)(C[6]C[6]C)(CC[6a]2){3|C<3>}	123.0880	0.000	1	123.0880	0.000	1	123.0880	0.000	1	120.5275	13.112	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:3:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO)	C[6](C[6]C[6]C)2(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(COO){2|C<3>,2|H<1>}	117.9670	0.000	1	117.9670	0.000	1	117.9670	0.000	1	120.5275	13.112	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-3:C[6]-3:C-4:	P[6]-2:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]P[6]H)(CH3)	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(CH3)	C[6](P[6]C[5,6])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]P[6]H)(CH3){1|C<3>,1|P<4>}	C[6](C[5,6]C[5,6]P[5])(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|P<2>,1|S<1>,2|C<3>}	C[6](P[6]C[5,6])(C[6]C[6]C)(H){1|C<4>,2|C<3>}	121.4480	0.000	1	121.4480	0.000	1	121.4480	0.000	1	121.4480	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:C-4:	N[5,6]-3:C[6]-3:C-4:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5,6]C)(C[6]N[6]C)(CH3)	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(CH3)	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3)	C[6](C[6]N[5,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	C[6](N[5,6]C[5,6]N[5])(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[5,6])(C[6]C[6]C)(CH3){1|C<4>,2|N<3>}	119.3360	0.000	1	119.3360	0.000	1	119.3360	0.000	1	119.2925	0.004	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	2:3:4:	C[6]-3:C[6]-3:C-4:	N[5a,6]-3:C[6]-3:C-4:	N[6]-2:C[6]-3:C-4:	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3)	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3)	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C)(C[6]N[6]C)(CH3){1|C<3>,1|N<2>}	C[6](N[5a,6]C[5a,6]N[5a])(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](N[6]C[5a,6])(C[6]C[6]C)(CH3){1|C<4>,2|N<3>}	119.2490	0.000	1	119.2490	0.000	1	119.2490	0.000	1	119.2925	0.004	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]C)(N[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(N[6]C[6])(H){1|C<4>,2|C<3>}	118.1060	0.000	1	118.1060	0.000	1	118.1060	0.000	1	119.5233	1.531	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:P[6]-2:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(P[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<2>}	C[6](C[6]C[6]C)(P[6]C[6])(H){1|C<4>,2|C<3>}	120.2320	0.222	2	120.2320	0.049	2	120.2320	0.049	2	119.5233	1.531	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:2:4:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-2:C-4:	C[6](C[6]C[6]C)2(PSiNU)	C[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	C[6](C[6]C[6]P)(C[6]C[6])(CH3)	C[6](C[6]C[6]C)2(PSiNU){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<2>,2|C<4>}	C[6](C[6]C[6]P)(C[6]C[6])(CH3){1|C<3>,2|C<4>}	121.5860	0.000	1	121.5860	0.000	1	121.5860	0.000	1	121.5860	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<2>}	C[6](C[6,6]C[6,6]O[6])(C[6]C[6]C)(CH3){1|C<3>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(O){1|C<3>,2|C<4>}	118.8170	0.000	1	118.8170	0.000	1	118.8170	0.000	1	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	N[6,6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6,6]H)(CH3)	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6,6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6,6a]C[6,6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6,6]C[6,6,6a]C[6])(C[6]C[6]C)(H){2|C<3>,2|C<4>,2|H<1>}	119.1220	0.000	1	119.1220	0.000	1	119.1220	0.000	1	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]Cd)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cd<8>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cd)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	117.8320	0.560	4	117.8320	0.313	4	118.4458	0.652	98	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Co<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Co)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	119.6105	0.264	4	119.6105	0.070	4	118.4458	0.652	98	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]Cr)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cr<10>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cr)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	116.1690	0.000	1	118.1650	3.002	3	118.4458	0.652	98	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]Cr)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cr<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cr)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	119.1630	0.170	2	118.1650	3.002	3	118.4458	0.652	98	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cu<4>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	118.4176	0.492	5	118.4257	0.162	7	118.4458	0.652	98	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]Cu)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Cu<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Cu)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	118.4460	0.052	2	118.4257	0.162	7	118.4458	0.652	98	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]Fe)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Fe<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Fe)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	119.5042	0.498	8	119.5042	0.248	8	118.4458	0.652	98	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Mn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Mn)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	117.9960	0.379	11	117.9960	0.144	11	118.4458	0.652	98	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Ni<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Ni)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	118.3575	0.696	53	118.3575	0.484	53	118.4458	0.652	98	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]Re)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Re<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Re)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	118.8352	0.704	6	118.8352	0.496	6	118.4458	0.652	98	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6a]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3)	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(H)	C[6](C[6]C[6,6a]C)(C[6]N[6]H)(CH3){1|Zn<6>,2|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]C)(CH3){1|N<3>,2|C<3>,2|H<1>}	C[6](N[6]C[6,6a]Zn)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	117.2460	1.331	2	117.2460	1.771	2	118.4458	0.652	98	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]O)(Br){2|C<3>,2|C<4>}	119.0670	0.000	1	119.0670	0.000	1	119.0670	0.000	1	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3)	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3){1|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<2>,1|W<8>,2|C<3>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|O<2>,1|W<8>}	121.3345	0.146	2	121.3345	0.021	2	118.3238	2.044	13	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|C<4>}	117.5175	0.105	2	117.6259	0.066	10	118.3238	2.044	13	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Co<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Co<5>,1|C<3>,1|C<4>}	117.5312	0.270	4	117.6259	0.066	10	118.3238	2.044	13	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>}	118.0990	0.000	1	117.6259	0.066	10	118.3238	2.044	13	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Pt<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pt<4>,1|C<3>,1|C<4>}	117.8780	0.000	1	117.6259	0.066	10	118.3238	2.044	13	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Si<4>,1|C<3>,1|C<4>}	117.4910	0.000	1	117.6259	0.066	10	118.3238	2.044	13	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|Ti<6>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ti<6>,1|C<3>,1|C<4>}	117.6310	0.000	1	117.6259	0.066	10	118.3238	2.044	13	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)2(CC[6a]HN)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,1|H<1>}	119.2820	0.000	1	119.2820	0.000	1	118.3238	2.044	13	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	115.5900	0.000	1	115.5900	0.000	1	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	119.7060	0.000	1	119.7060	0.000	1	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|H<1>}	118.9420	0.000	1	118.9420	0.000	1	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	118.8520	0.000	1	118.8520	0.000	1	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|O<2>}	119.8420	0.000	1	119.8420	0.000	1	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3)	C[6](C[6]C[6]C)2(CF3)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CF3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	120.5475	0.370	2	120.5475	0.137	2	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|O<1>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|C<3>}	118.2960	0.000	1	118.2960	0.000	1	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	119.4550	0.000	1	119.4550	0.000	1	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	119.6690	0.000	1	119.6690	0.000	1	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]2O){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,2|C<4>}	118.5210	0.000	1	118.5210	0.000	1	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]CH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	119.5780	0.000	1	119.5780	0.000	1	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<3>,2|C<4>}	118.9560	0.000	1	118.9560	0.000	1	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<3>,2|C<4>}	119.2993	0.915	6	119.2993	0.837	6	119.1736	1.314	19	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<4>,2|C<3>}	117.3650	0.000	1	117.3650	0.000	1	118.9212	0.434	11	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,2|C<4>}	119.0768	0.431	10	119.0768	0.186	10	118.9212	0.434	11	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:P[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(P[6]C[6]W)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|C<3>,1|H<1>,1|W<6>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](C[6]C[6]C)(P[6]C[6]W)(H){1|C<4>,2|C<3>}	122.9987	0.440	3	122.9987	0.194	3	122.9987	0.194	3	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](N[6]C[6]Pd)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CCHH){1|Pd<4>,1|C<3>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<3>,1|N<3>,1|O<1>}	C[6](N[6]C[6]Pd)(C[6]C[6]C)(O){1|C<4>,2|C<3>}	120.8210	0.000	1	120.8210	0.000	1	120.8210	0.000	1	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	P[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](P[6]C[6]Mn)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Mn<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](P[6]C[6]Mn)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	122.7110	0.226	2	122.7110	0.051	2	122.0694	0.871	7	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	P[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](P[6]C[6]Sm)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Sm<12>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](P[6]C[6]Sm)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	121.6050	0.000	1	121.6050	0.000	1	122.0694	0.871	7	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	P[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](P[6]C[6]Tm)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Tm<12>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](P[6]C[6]Tm)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	121.9425	1.894	2	121.9425	3.589	2	122.0694	0.871	7	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	P[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](P[6]C[6]Yb)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]P[6]H)(CH3){1|Yb<12>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|H<1>,1|P<3>}	C[6](P[6]C[6]Yb)(C[6]C[6]C)(H){1|C<4>,2|C<3>}	121.7870	0.594	2	121.7870	0.353	2	122.0694	0.871	7	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]P)(CH3)	C[6](C[6]C[6]C)2(PSiNU)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(CH3){1|C<2>,2|C<4>}	C[6](C[6]C[6]C)2(PSiNU){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|P<4>}	118.6120	0.000	1	118.6120	0.000	1	118.6120	0.000	1	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|C<4>}	117.2955	0.011	2	117.2955	0.000	2	117.2955	0.000	2	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(CC[6a]HH){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	118.4310	0.000	1	118.4310	0.000	1	118.3484	0.306	7	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:N[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(N[6]C[6]H)(O)	C[6](C[6]N[6]C)(C[6]N[6]O)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(CH3){1|N<3>,1|O<1>,1|S<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(O){1|C<4>,1|N<3>,1|S<1>}	118.3347	0.605	6	118.3347	0.366	6	118.3484	0.306	7	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:N-4:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]S)(NH3)	C[6](C[6]C[6]H)(C[6]C[6]N)(SO3)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]S)(NH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(SO3){1|H<1>,2|C<3>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|S<4>,2|C<3>}	120.8810	0.000	1	120.8810	0.000	1	120.8810	0.000	1	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:S-4:	C[6]-3:C[6]-3:P-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)(C[6]C[6]P)(SCOO)	C[6](C[6]C[6]H)(C[6]C[6]S)(PC[6a]3)	C[6](C[6]C[6]H)(C[6]C[6]S)(O)	C[6](C[6]C[6]O)(C[6]C[6]P)(SCOO){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(PC[6a]3){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]H)(C[6]C[6]S)(O){1|C<3>,1|H<1>,1|P<4>}	122.5370	0.000	1	122.5370	0.000	1	122.5370	0.000	1	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:1:	C[6]-3:C[6]-3:Si-4:	C[6]-3:C[6]-3:Si-4:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]Si)(C[6]N[6]H)(SiC3)	C[6](C[6]C[6]Si)(C[6]N[6]H)(SiC3)	C[6](C[6]C[6]Si)(N[6]N[6]Re)(H)	C[6](C[6]C[6]Si)(C[6]N[6]H)(SiC3){1|Re<6>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Si)(C[6]N[6]H)(SiC3){1|Re<6>,1|H<1>,1|N<3>}	C[6](C[6]C[6]Si)(N[6]N[6]Re)(H){1|Re<6>,1|Si<4>,1|C<3>}	115.2220	2.335	5	115.2220	5.453	5	115.2220	5.453	5	118.7256	2.236	172	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OFe){1|C<3>,1|C<4>}	120.4710	0.000	1	120.4710	0.000	1	118.7659	0.408	11	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO)	C[6](C[6]C[6]C)(C[6]N[6]C)(OH)	C[6](C[6]C[6]C)(C[6]C[6]O)(CHHO){1|C<4>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(CHHO){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]N[6]C)(OH){1|C<3>,1|C<4>,1|H<1>}	118.5954	0.313	10	118.5954	0.098	10	118.7659	0.408	11	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Co)(C[6]C[6]C)(CHHN)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Co<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	116.7520	0.000	1	116.7520	0.000	1	116.9261	0.541	34	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	117.4130	0.639	2	116.9396	0.720	23	116.9261	0.541	34	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	116.8945	0.864	21	116.9396	0.720	23	116.9261	0.541	34	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]CH)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	116.7830	0.000	1	116.7830	0.000	1	116.9261	0.541	34	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]HH)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Cu<5>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	117.0120	0.000	1	117.0120	0.000	1	116.9261	0.541	34	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CHHN)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CHHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	116.6280	0.000	1	116.6280	0.000	1	116.9261	0.541	34	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CN[5]HH)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Fe<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Fe)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	116.3525	0.425	2	116.3525	0.181	2	116.9261	0.541	34	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CC[6a]HN)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CC[6a]HN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	116.6680	0.000	1	116.6680	0.000	1	116.9261	0.541	34	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	117.5515	0.274	2	117.5515	0.075	2	116.9261	0.541	34	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]CH)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Zn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]CH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	117.2100	0.000	1	117.2100	0.000	1	116.9261	0.541	34	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:2:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]HH)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)(C[6]N[6]C)(CH3){1|Zn<4>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Zn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|H<1>,1|N<3>}	117.0180	0.000	1	117.0180	0.000	1	116.9261	0.541	34	117.3759	1.137	45	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CC[6a]HN)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH)	C[6](C[6]C[6]C)2(CC[6a]HN){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CHH){1|C<3>,2|C<4>}	117.6760	0.000	1	117.6760	0.000	1	117.6760	0.000	1	118.2520	0.335	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:3:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3)	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH)	C[6](C[6]C[6]C)2(NCC)	C[6](C[6]C[6]N)(C[6]N[6]C)(CH3){1|Mn<6>,1|C<3>,1|C<4>}	C[6](N[6]C[6]Mn)(C[6]C[6]C)(CN[5]HH){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(NCC){1|C<4>,1|H<1>,1|N<3>}	118.5400	0.416	2	118.5400	0.173	2	118.5400	0.173	2	118.2520	0.335	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CCHH)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH)	C[6](C[6]C[6]C)2(CCHH){1|C<4>,1|O<2>,1|S<2>}	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]S)(CCHH){1|C<3>,1|C<4>}	119.1640	0.000	1	119.1640	0.000	1	119.7418	0.274	6	119.7842	1.194	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CCHH)	C[6](C[6]O[6]Cr)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH)	C[6](C[6]C[6]C)2(CCHH){1|Cr<6>,1|C<4>,1|O<2>}	C[6](C[6]O[6]Cr)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>}	C[6](C[6]C[6]C)(C[6]O[6]C)(CCHH){1|C<3>,1|C<4>}	120.1770	0.000	1	120.1770	0.000	1	119.7418	0.274	6	119.7842	1.194	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CF3)	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3)	C[6](C[6]C[6]C)2(CF3)	C[6](C[6]C[6]C)2(CF3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CF3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CF3){1|C<3>,2|C<4>}	120.2030	0.334	2	120.2030	0.111	2	119.7418	0.274	6	119.7842	1.194	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CF3)	C[6](C[6]C[6]C)2(CF3)	C[6](C[6]C[6]C)2(CF3)	C[6](C[6]C[6]C)2(CF3){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CF3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(CF3){1|C<3>,1|C<4>,1|O<1>}	119.4160	0.000	1	119.4160	0.000	1	119.7418	0.274	6	119.7842	1.194	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]C)2(CC[5]HH)	C[6](C[6]C[6]C)2(CC[5]HH)	C[6](C[6]C[6]C)2(CH3){3|C<3>}	C[6](C[6]C[6]C)2(CC[5]HH){1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CC[5]HH){1|C<3>,2|C<4>}	119.2880	0.000	1	119.2880	0.000	1	119.7418	0.274	6	119.7842	1.194	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]N[6]C)(CH3){1|Cu<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|C<3>,1|C<4>,1|N<3>}	C[6](N[6]C[6]Cu)(C[6]C[6]C)(CH3){1|C<4>,2|C<3>}	118.3425	0.344	2	118.3425	0.119	2	118.3425	0.119	2	119.7842	1.194	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	N[5a,6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH)	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3)	C[6](C[6]N[5a,6]C)(C[6]C[6]C)(CCHH){1|H<1>,2|C<3>}	C[6](N[5a,6]C[5a,6]C[5a])(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5a,6]H)(C[6]C[6]C)(CH3){1|C<4>,1|N<3>,1|O<2>}	121.0650	0.000	1	121.0650	0.000	1	121.0650	0.000	1	119.7842	1.194	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-3:C-4:	C[6](C[6]N[6]C)2(CH3)	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3)	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3)	C[6](C[6]N[6]C)2(CH3){1|P<3>,2|C<3>}	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	C[6](N[6]C[6a]P[6])(C[6]C[6]C)(CH3){1|Br<1>,1|C<4>,1|N<3>,2|C<3>}	121.6410	0.000	1	121.6410	0.000	1	121.6410	0.000	1	119.7842	1.194	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(CH3){1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	120.3010	0.000	1	120.3010	0.000	1	120.3010	0.000	1	120.3010	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:4:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-3:P-4:P[6]-2:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C[6](C[6]C[6]C)(PC[6a]2B)(P[6]C[6])	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(PC[6a]2B)(P[6]C[6]){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|P<2>,1|P<4>}	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	120.5430	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:4:3:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CHHS)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CHHS){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,4|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	120.8520	0.000	1	120.8520	0.000	1	120.8520	0.000	1	120.8520	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-3:C[6]-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH)	C[6](N[6]Si[6]C[6])(C[6]C[6]LiC)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CCCH){1|Li<5>,1|Si<5>,1|C<4>,1|H<1>,2|C<3>}	C[6](N[6]Si[6]C[6])(C[6]C[6]LiC)(C[6]C[6]C){1|Br<2>,1|Li<5>,1|N<3>,1|N<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	118.9880	0.000	1	118.9880	0.000	1	118.9880	0.000	1	117.9272	0.848	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	P[6]-3:P-4:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3)	C[6](P[6]C[6]Ru)(PC[6a]2Ru)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)(C[6]P[6]P)(CH3){1|Ru<6>,1|C<3>,1|H<1>}	C[6](P[6]C[6]Ru)(PC[6a]2Ru)(C[6]C[6]C){1|Si<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Si<4>,1|P<3>,1|P<4>}	117.4340	0.825	3	117.4340	0.681	3	117.4340	0.681	3	117.9272	0.848	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:4:3:	3:3:1:	C[6]-3:C[6]-3:Si-4:	C[6a]-3:C[6]-4:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(SiC3)	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Si)	C[6](C[6]C[6]Si)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(SiC3){2|C<3>,2|C<4>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]HH)(C[6]C[6]Si){1|N<3>,1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]Si)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	118.3460	0.000	1	118.3460	0.000	1	118.3460	0.000	1	117.9272	0.848	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	3:4:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5a]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH)	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5a]C[6])(C[6]C[6]O)(CCHH){1|C<4>,2|C<3>,4|H<1>}	C[6](C[5a]C[5a,6a]C[5a])(C[6]C[6]HH)(C[6]C[6]C){1|O<1>,1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	120.5450	0.000	1	120.5450	0.000	1	120.5450	0.000	1	120.5450	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	2:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	O[6]-2:C[6]-3:O-2:	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](O[6]C[6,6])(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3){1|C<4>,2|C<3>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|H<1>,2|C<3>,2|O<2>}	C[6](O[6]C[6,6])(C[6]C[6]C)(OC){1|C<3>,1|C<4>,1|O<1>}	118.7270	0.000	1	118.7270	0.000	1	118.7270	0.000	1	118.7270	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(N[6]O[6])(H)	C[6](C[6]C[6,6]H)(C[6]N[6]H)(CH3){1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]O[6])(C[6]C[6]C)(H){1|N<2>,3|C<4>,4|H<1>}	C[6](C[6]C[6]C)(N[6]O[6])(H){1|C<4>,1|H<1>}	116.8170	0.000	1	116.8170	0.000	1	116.8170	0.000	1	118.8782	1.116	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(CCHH){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	119.2910	0.618	2	119.2910	0.382	2	119.2830	0.160	4	118.8782	1.116	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(CC[6a]HN){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|C<3>,1|C<4>,2|H<1>}	119.4960	0.000	1	119.4960	0.000	1	119.2830	0.160	4	118.8782	1.116	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]H)(C[6]O[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]H)(C[6]O[6]O)(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(O){2|C<4>,2|H<1>}	119.0540	0.000	1	119.0540	0.000	1	119.2830	0.160	4	118.8782	1.116	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6]-3:O[6]-2:H-1:	C[6](C[6]C[6]O)(C[6]O[6]H)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(O[6]C[6])(H)	C[6](C[6]C[6]O)(C[6]O[6]H)(CH3){1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	C[6](C[6]C[6]C)(O[6]C[6])(H){1|H<1>,1|O<1>,2|C<4>}	119.3200	0.000	1	119.3200	0.000	1	119.3200	0.000	1	118.8782	1.116	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BC[6a]3)	C[6](C[6]C[6]HH)(C[6]C[6]B)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BC[6a]3){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	115.1210	0.000	1	115.1210	0.000	1	115.5390	0.349	2	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:B-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(BN[5]CO)	C[6](C[6]C[6]FeB)(C[6]C[6]B)(H)	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(BN[5]CO){1|Fe<5>,1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]FeB)(C[6]C[6]B)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	115.9570	0.000	1	115.9570	0.000	1	115.5390	0.349	2	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	B[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]B[6]H)(C[6]C[6]H)(CH3)	C[6](B[6]C[6]MgN)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]B[6]H)(C[6]C[6]H)(CH3){1|Mg<6>,1|C<3>,1|C<4>,1|N<4>}	C[6](B[6]C[6]MgN)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|B<4>,2|H<1>}	120.9818	0.955	4	120.9818	0.911	4	120.9818	0.911	4	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[3,5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(CH3)	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[3,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[3,5,6]H)(C[6]C[6]H)(CH3){4|C<4>}	C[6](C[3,5,6]C[3,5]C[3,6]C[5])(C[6]C[6]C)(H){1|C<3>,1|O<2>,3|C<4>,3|H<1>}	C[6](C[6]C[3,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	119.6030	0.000	1	119.6030	0.000	1	119.6030	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]H)(C[6]C[6]H)(CH3)	C[6](C[3,6]C[3,5,6]P[3,5]C)(C[6]C[6]C)(H)	C[6](C[6]C[3,5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]H)(C[6]C[6]H)(CH3){1|P<3>,3|C<4>}	C[6](C[3,6]C[3,5,6]P[3,5]C)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[3,5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<3>,1|P<3>}	119.8350	0.000	1	119.8350	0.000	1	119.8350	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3)	C[6](C[3,6]C[3,5]C[3]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[3,6]C[3,5]C[3]C[6])(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.2745	0.446	2	118.2745	0.199	2	118.3430	0.126	8	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[3,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3)	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[3,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[3,6]C[3]2C[6])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.3658	0.366	6	118.3658	0.134	6	118.3430	0.126	8	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[3,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3)	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]H)(C[6]C[6]C)(O){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[3,6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	119.6890	0.000	1	119.6890	0.000	1	119.6890	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[3x6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH)	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|O<2>,2|C<4>}	C[6](C[3x6]C[6,6]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	117.4823	0.609	3	117.4823	0.371	3	117.4823	0.371	3	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[3x6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[3x6]O)(C[6]C[6]H)(CH3)	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]C)(O)	C[6](C[6]C[4x6]O)(C[6]C[6]C)(H)	C[6](C[6]C[3x6]O)(C[6]C[6]H)(CH3){1|O<1>,3|C<4>}	C[6](C[3x6]C[3x6]C[4x6]C)(C[6]C[6]C)(O){1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4x6]O)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|N<3>,1|O<1>}	120.5335	0.517	2	120.5335	0.267	2	120.5335	0.267	2	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[3x6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[3x6]O)(C[6]C[6]I)(CH3)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(O)	C[6](C[6]C[3x6]O)(C[6]C[6]C)(I)	C[6](C[6]C[3x6]O)(C[6]C[6]I)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(O){1|H<1>,1|I<1>,2|C<3>,3|C<4>}	C[6](C[6]C[3x6]O)(C[6]C[6]C)(I){1|O<1>,3|C<4>}	118.5760	0.000	1	118.5760	0.000	1	118.5760	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[4,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[4,6]H)(C[6]C[6]H)(CH3)	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]H)(C[6]C[6]H)(CH3){4|C<4>}	C[6](C[4,6]C[4,6]C[4]C)(C[6]C[6]C)(H){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[4,6]C)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	119.8500	0.000	1	119.8500	0.000	1	119.8500	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,5,6]H)(C[6]C[6]H)(CH3){1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H){1|O<2>,2|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	119.4060	0.000	1	119.4060	0.000	1	119.4060	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH)	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,2|O<2>}	C[6](C[5,6,6]C[5,6,6]C[6]O[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	118.7250	0.000	1	118.7250	0.000	1	118.7250	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(CH3)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	119.4810	0.000	1	119.4810	0.000	1	119.4810	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH)	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CCHH){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[6,6]C[5]O[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]C)(O){1|O<2>,2|C<4>,3|H<1>}	119.9830	0.000	1	119.9830	0.000	1	119.9830	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6]2Hf)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Hf<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Hf)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Hf<13>,1|H<1>,2|C<4>}	118.2364	0.326	10	118.2364	0.106	10	118.6277	0.494	44	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Zr<13>,1|H<1>,2|C<4>}	118.0308	0.385	13	118.0308	0.148	13	118.6277	0.494	44	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(H){1|C<3>,1|C<5>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Zr<13>,1|H<1>,2|C<4>}	118.9245	0.274	2	119.0751	0.143	12	118.6277	0.494	44	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|Zr<13>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(H){1|Si<5>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Zr<13>,1|H<1>,2|C<4>}	119.1052	0.401	10	119.0751	0.143	12	118.6277	0.494	44	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>,1|P<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>}	119.2820	0.000	1	119.2820	0.000	1	118.6277	0.494	44	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C[6](C[5,6]C[5]C[6]O[5])(C[6]C[6]C)(H){1|O<1>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<1>}	118.7370	0.000	1	118.7370	0.000	1	118.6277	0.494	44	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|O<1>}	118.6960	0.479	2	118.6960	0.230	2	118.6277	0.494	44	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6,6]C[5]H)(C[6]C[6]C)(H){2|C<3>,2|N<3>,3|H<1>}	C[6](C[6]C[5,6,6]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,2|N<3>}	118.8470	0.000	1	118.8470	0.000	1	118.6277	0.494	44	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[6]C)(H){1|H<1>,2|C<3>,2|N<2>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|N<2>}	120.7300	0.000	1	120.7300	0.000	1	118.6277	0.494	44	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|Ru<7>,1|H<1>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Ru)(C[6]C[6]C)(H){1|C<4>,1|C<5>,1|H<1>,2|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Ru<7>,1|H<1>,2|C<4>}	119.7160	0.000	1	119.7160	0.000	1	118.6277	0.494	44	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|C<4>,1|N<3>,2|H<1>}	C[6](C[5,6]C[5,6]N[5]H)(C[6]C[6]C)(H){1|S<4>,2|H<1>,3|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	119.4970	0.000	1	119.4970	0.000	1	118.6277	0.494	44	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]H)(CH3){1|N<2>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]N[5]O)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(H){1|H<1>,1|O<2>,2|C<4>}	119.7520	0.000	1	119.7520	0.000	1	118.6277	0.494	44	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5,5,6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[5,6]C[5,5,6]C[5]C[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.7590	0.181	2	118.7590	0.033	2	118.6019	0.569	32	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|S<2>,4|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.3680	0.000	1	118.4410	0.005	3	118.6019	0.569	32	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,5a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.4775	0.053	2	118.4410	0.005	3	118.6019	0.569	32	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<4>,1|N<3>,2|C<3>}	C[6](C[5,6]C[5,6a]N[5,5a]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,5|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.4548	0.279	8	118.4548	0.078	8	118.6019	0.569	32	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|C<4>,1|O<1>,1|O<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.7510	0.154	2	118.1066	0.327	12	118.6019	0.569	32	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.0195	0.361	4	118.1066	0.327	12	118.6019	0.569	32	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|H<1>,6|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.7590	0.335	2	118.1066	0.327	12	118.6019	0.569	32	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(H){1|O<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	117.5452	0.182	4	118.1066	0.327	12	118.6019	0.569	32	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CC3){1|C<3>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H){1|N<2>,1|O<1>,2|H<1>,4|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.9025	0.429	2	118.9025	0.184	2	118.6019	0.569	32	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(O){1|C<4>,1|H<1>,1|O<2>}	120.7400	0.000	1	120.7400	0.000	1	118.6019	0.569	32	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|N<3>,2|C<4>}	C[6](C[5,6]C[5]C[6]N[5])(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	119.8145	0.288	2	119.8145	0.083	2	118.6019	0.569	32	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|N<2>,1|N<3>}	C[6](C[5,6]C[6]N[5]2)(C[6]C[6]C)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	119.6640	0.051	2	119.6640	0.003	2	118.6019	0.569	32	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH)	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CC[6a]HH){1|C<3>,1|C<4>,1|O<2>,1|S<2>}	C[6](C[5,6]C[6]O[5]S[5])(C[6]C[6]C)(O){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|O<1>}	118.6675	0.268	2	118.6675	0.072	2	119.0345	0.308	4	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){1|O<1>,1|O<2>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]O[5])(C[6]C[6]C)(O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	119.7970	0.000	1	119.7970	0.000	1	119.0345	0.308	4	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){1|H<1>,3|C<3>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|N<2>,2|H<1>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|O<1>}	119.0060	0.000	1	119.0060	0.000	1	119.0345	0.308	4	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3)	C[6](C[6,6]C[6]2S[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]S)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CC3){1|C<3>,1|C<4>,2|S<2>}	C[6](C[6,6]C[6]2S[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,4|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]S)(H){1|C<4>,1|H<1>,1|O<1>}	119.7390	0.000	1	119.7390	0.000	1	118.9615	0.595	4	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[3,6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	C[6](C[6,6]C[3,6,6]C[6]H)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[3,6,6]H)(C[6]C[6]C)(H){1|H<1>,1|N<3>,2|C<4>}	119.5080	0.000	1	119.5080	0.000	1	118.9615	0.595	4	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(H){2|C<4>,2|H<1>}	118.2530	0.000	1	118.2530	0.000	1	118.9615	0.595	4	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]H)(CH3){2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6a]C[6,6]C)(C[6]C[6]C)(H){1|B<3>,1|H<1>,3|C<3>}	C[6](C[6]C[6,6]C)(C[6]C[6]C)(H){1|B<3>,1|C<4>,1|H<1>}	118.3460	0.000	1	118.3460	0.000	1	118.9615	0.595	4	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[6,6]C[5,6]C[6]2)(C[6]C[6]C)(H){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.2310	0.460	2	118.2310	0.211	2	118.7422	0.244	13	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C[6](C[6,6]C[5a,6]C[6,6]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){2|C<3>,2|C<4>}	C[6](C[6,6]C[5a,6]C[6,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,6|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.8787	0.263	4	118.8787	0.069	4	118.7422	0.244	13	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|H<1>,4|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.8925	0.042	2	118.8925	0.002	2	118.7422	0.244	13	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6,6]C[6,6]C[6]O)(C[6]C[6]C)(H){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	118.2830	0.000	1	118.2830	0.000	1	118.7422	0.244	13	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,3|C<4>}	C[6](C[6,6]C[6]3)(C[6]C[6]C)(H){1|O<1>,2|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.9010	0.719	4	118.9010	0.517	4	118.7422	0.244	13	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:Br-1:	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(Br)	C[6](C[6]C[6,6]O)(C[6]C[6]Br)(CH3){1|O<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,2|C<4>}	119.2170	0.000	1	119.2170	0.000	1	119.2170	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|C<3>,4|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	117.5600	0.000	1	117.5600	0.000	1	118.5712	0.808	4	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]N)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|N<2>,2|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6]N)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	119.6120	0.000	1	119.6120	0.000	1	118.5712	0.808	4	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	118.9550	0.000	1	118.9550	0.000	1	118.5712	0.808	4	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]N[6]3)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|O<1>,3|N<3>}	C[6](C[6,6]N[6]3)(C[6]C[6]C)(O){1|C<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]O)(H){1|C<4>,1|H<1>,1|O<1>}	118.1580	0.000	1	118.1580	0.000	1	118.5712	0.808	4	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:I-1:	C[6](C[6]C[6,6]O)(C[6]C[6]I)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(I)	C[6](C[6]C[6,6]O)(C[6]C[6]I)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|C<3>,1|I<1>,2|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(I){1|O<1>,3|C<4>}	119.1340	0.576	2	119.1340	0.331	2	119.1340	0.331	2	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]CY)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Y<14>,1|C<5>,2|C<4>}	C[6](C[6]C[6]CY)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|Y<14>,1|C<4>,1|H<1>,1|N<3>}	116.4910	0.000	1	116.4910	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]HoC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ho<14>,1|C<5>,2|C<4>}	C[6](C[6]C[6]HoC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|Ho<14>,1|C<4>,1|H<1>,1|N<3>}	116.4530	0.000	1	116.3900	0.008	2	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]HoC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ho<15>,1|C<5>,2|C<4>}	C[6](C[6]C[6]HoC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|Ho<15>,1|C<4>,1|H<1>,1|N<3>}	116.3270	0.000	1	116.3900	0.008	2	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]LuC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Lu<14>,1|C<5>,2|C<4>}	C[6](C[6]C[6]LuC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|Lu<14>,1|C<4>,1|H<1>,1|N<3>}	116.2570	0.000	1	116.2570	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]NU)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|N<3>,1|U<9>,2|C<4>}	C[6](C[6]C[6]NU)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|O<2>,1|U<9>}	117.8720	0.000	1	118.1072	0.039	4	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]NU)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|U<12>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]NU)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	118.2205	0.193	2	118.1072	0.039	4	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]NU)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|U<16>,1|N<3>,2|C<4>}	C[6](C[6]C[6]NU)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|U<16>,1|C<4>,1|H<1>,1|O<2>}	118.1160	0.000	1	118.1072	0.039	4	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]NW)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|W<14>,1|N<3>,2|C<4>}	C[6](C[6]C[6]NW)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|W<14>,1|C<4>,1|H<1>,1|O<2>}	118.9787	0.083	4	118.9787	0.007	4	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]RuO)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ru<10>,1|O<2>,2|C<4>}	C[6](C[6]C[6]RuO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Ru<10>,1|C<4>,1|H<1>,1|O<2>}	117.9305	0.585	2	117.9305	0.342	2	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]TaN)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ta<13>,1|N<3>,2|C<4>}	C[6](C[6]C[6]TaN)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Ta<13>,1|C<4>,1|H<1>,1|O<2>}	118.6970	0.000	1	118.6970	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]TiN)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ti<10>,1|N<3>,2|C<4>}	C[6](C[6]C[6]TiN)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Ti<10>,1|C<4>,1|H<1>,1|O<2>}	118.7280	0.257	2	118.7280	0.066	2	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]TiO)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ti<13>,1|O<3>,2|C<4>}	C[6](C[6]C[6]TiO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Ti<13>,1|C<4>,1|H<1>,1|O<2>}	117.8143	0.315	4	117.8328	0.076	5	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]TiO)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ti<9>,1|O<3>,2|C<4>}	C[6](C[6]C[6]TiO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Ti<9>,1|C<4>,1|H<1>,1|O<2>}	117.9070	0.000	1	117.8328	0.076	5	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6]YbN)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Yb<14>,1|N<3>,2|C<4>}	C[6](C[6]C[6]YbN)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){1|Yb<14>,1|C<4>,1|H<1>,1|O<3>}	117.3825	0.028	2	117.3825	0.001	2	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CC3)	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CC3){1|Ni<5>,1|C<3>,2|C<4>}	C[6](C[6]C[6a]C[6]Ni)(C[6]C[6]C)(H){2|H<1>,3|C<3>}	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|C<4>,2|H<1>}	118.4890	0.000	1	118.4890	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCHN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CCHN){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,2|H<1>}	119.2080	0.000	1	119.2080	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){2|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|C<4>,2|H<1>}	119.4520	0.000	1	119.4520	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]CuC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Cu<6>,3|C<4>}	C[6](C[6]C[6]CuC)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|Cu<6>,1|B<4>,1|C<4>,1|H<1>}	117.8800	0.000	1	117.8800	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]DyO)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Dy<15>,1|O<3>,2|C<4>}	C[6](C[6]C[6]DyO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Dy<15>,1|C<4>,1|H<1>,1|O<2>}	118.5660	0.000	1	118.5660	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]FeC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Fe<10>,3|C<4>}	C[6](C[6]C[6]FeC)(C[6]C[6]C)(H){1|Si<5>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|Fe<10>,1|Si<5>,1|C<4>,1|H<1>}	118.6190	0.000	1	118.6190	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]GdO)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Gd<17>,1|O<3>,2|C<4>}	C[6](C[6]C[6]GdO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){1|Gd<17>,1|C<4>,1|H<1>,1|O<3>}	118.1470	0.322	2	118.1470	0.104	2	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]IrC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ir<7>,1|C<3>,2|C<4>}	C[6](C[6]C[6]IrC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	120.2030	0.000	1	120.2030	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]LaC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|La<22>,1|C<5>,2|C<4>}	C[6](C[6]C[6]LaC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|La<22>,1|C<4>,1|H<1>,1|N<3>}	118.2440	0.000	1	118.2440	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]MoC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Mo<9>,1|C<3>,2|C<4>}	C[6](C[6]C[6]MoC)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	118.4705	0.729	2	118.4705	0.531	2	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]NU)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]NU)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	118.3907	0.702	8	118.5798	0.542	10	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]NU)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|N<3>,2|C<4>}	C[6](C[6]C[6]NU)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]C)2(H){1|U<17>,1|C<4>,1|H<1>,1|H<2>}	119.3010	0.000	1	118.5798	0.542	10	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]NU)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|U<17>,1|N<3>,2|C<4>}	C[6](C[6]C[6]NU)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|U<17>,1|C<4>,2|H<1>}	119.3710	0.000	1	118.5798	0.542	10	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]NV)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>,1|V<7>}	C[6](C[6]C[6]NV)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	118.6502	0.496	8	118.6502	0.246	8	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]NW)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|C<3>,1|C<4>,1|N<3>,1|W<7>}	C[6](C[6]C[6]NW)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	118.6480	0.242	2	118.6480	0.058	2	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Ru<9>,1|C<4>,1|H<1>,1|N<4>}	C[6](C[6]C[6]N[6]Ru)(C[6]C[6]C)(H){1|Ru<7>,1|H<1>,1|N<4>,2|C<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Ru<7>,1|Ru<9>,1|C<4>,1|H<1>}	117.4260	0.190	2	117.4260	0.036	2	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]NiC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ni<5>,3|C<4>}	C[6](C[6]C[6]NiC)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|Ni<5>,1|B<4>,1|C<4>,1|H<1>}	117.9260	0.000	1	117.9260	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]OY)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Y<15>,1|O<3>,2|C<4>}	C[6](C[6]C[6]OY)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<3>}	C[6](C[6]C[6]C)2(H){1|Y<15>,1|C<4>,1|H<1>,1|O<3>}	117.4030	0.000	1	117.4030	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<5>,3|C<4>}	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|B<3>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|Pd<5>,1|B<3>,1|C<4>,1|H<1>}	117.6030	0.000	1	118.6776	0.508	5	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<5>,3|C<4>}	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|Pd<5>,1|H<1>,2|C<4>}	118.5440	0.000	1	118.6776	0.508	5	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,3|C<4>}	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)2(H){1|Pd<6>,1|B<4>,1|C<4>,1|H<1>}	118.9115	0.449	2	118.6776	0.508	5	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,3|C<4>}	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|Pd<6>,1|C<4>,2|H<1>}	119.4180	0.000	1	118.6776	0.508	5	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]PdH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CH3){1|Pd<6>,1|C<4>,2|H<1>}	C[6](C[6]C[6]PdH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<6>,1|H<1>,2|C<4>}	118.7550	0.000	1	118.7550	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]RuC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ru<6>,1|C<3>,2|C<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	118.9065	0.875	2	119.2240	0.685	3	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]RuC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ru<6>,3|C<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|Ru<6>,1|C<4>,1|H<1>,1|N<3>}	119.8590	0.000	1	119.2240	0.685	3	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]TaN)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ta<11>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]TaN)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	118.5798	0.201	5	118.4670	0.128	9	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]TaN)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Ta<12>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]TaN)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	118.3260	0.491	4	118.4670	0.128	9	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]ZrC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<10>,1|C<5>,2|C<4>}	C[6](C[6]C[6]ZrC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(H){1|Zr<10>,1|C<4>,1|H<1>,1|N<3>}	117.9510	0.000	1	117.9510	0.000	1	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<13>,1|C<3>,1|C<4>,1|N<3>}	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,2|H<1>}	118.8945	0.129	2	119.5993	1.499	3	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CH3)	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)2(CH3){1|Zr<14>,1|N<3>,2|C<4>}	C[6](C[6]C[6]ZrN)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|H<2>}	C[6](C[6]C[6]C)2(H){1|Zr<14>,1|C<4>,1|H<1>,1|H<2>}	121.0090	0.000	1	119.5993	1.499	3	118.4019	0.676	82	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]2O)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]2O)(C[6]C[6]C)(H){1|H<1>,1|O<1>,1|O<2>,3|C<3>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.2985	0.050	2	118.2985	0.003	2	118.9870	0.860	14	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	118.3490	0.116	2	118.3490	0.013	2	118.9870	0.860	14	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]CS)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|C<3>,1|S<4>,2|C<4>}	C[6](C[6]C[6]CS)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	117.6505	0.067	2	117.6505	0.005	2	118.9870	0.860	14	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Pd<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	119.0045	0.750	2	119.0045	0.563	2	118.9870	0.860	14	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]OO)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|Br<1>,1|C<3>,2|O<2>}	C[6](C[6]C[6]OO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	119.8350	0.000	1	119.8350	0.000	1	118.9870	0.860	14	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<4>,2|H<1>}	119.4350	0.000	1	119.4350	0.000	1	118.9870	0.860	14	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C[6](C[6]C[6]CO)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|H<1>}	119.9857	0.340	4	119.9857	0.116	4	118.9870	0.860	14	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]O)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	119.1345	0.555	2	119.1345	0.308	2	119.1345	0.308	2	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	N[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3)	C[6](N[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]N[6]H)(CH3){4|C<4>}	C[6](N[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|N<4>,2|H<1>}	117.9180	0.000	1	117.9180	0.000	1	117.9180	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:N-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(NH3)	C[6](C[6]C[6]HH)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(H)	C[6](C[6]C[6]H)2(NH3){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]N)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]N)(H){1|H<1>,2|C<4>}	120.6740	0.000	1	120.6740	0.000	1	120.6740	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:1:	C[6]-3:C[6]-3:Si-4:	C[6]-4:C[6]-3:O-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]O)(C[6]N[6]H)(SiC3)	C[6](C[6]C[6]HH)(C[6]C[6]Si)(O)	C[6](C[6]C[6]Si)(N[6]C[6]C)(H)	C[6](C[6]C[6]O)(C[6]N[6]H)(SiC3){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]Si)(O){1|C<4>,1|N<3>,2|H<1>}	C[6](C[6]C[6]Si)(N[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	117.5470	0.000	1	117.5470	0.000	1	117.5470	0.000	1	118.6346	0.837	233	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[3,5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[3,5,6]H)(C[6]C[6]O)(CClHH)	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[3,5,6]H)(C[6]C[6]C)(OC)	C[6](C[6]C[3,5,6]H)(C[6]C[6]O)(CClHH){1|H<1>,3|C<4>}	C[6](C[3,5,6]C[3,5,6]C[3]C[5])(C[6]C[6]C)(H){2|Cl<1>,1|C<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[3,5,6]H)(C[6]C[6]C)(OC){1|H<1>,3|C<4>}	119.9860	0.000	1	119.9860	0.000	1	119.9860	0.000	1	117.8637	2.987	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[3,6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH)	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]C)(O)	C[6](C[6]C[3,6,6]O)(C[6]C[6]C)(OH)	C[6](C[6]C[3,6,6]O)(C[6]C[6]O)(CCCH){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	C[6](C[3,6,6]C[3,6,6]C[6]O[3])(C[6]C[6]C)(O){1|C<3>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[3,6,6]O)(C[6]C[6]C)(OH){1|O<1>,1|O<2>,2|C<4>}	118.7260	0.000	1	118.7260	0.000	1	118.7260	0.000	1	117.8637	2.987	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[5,6,6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:S-2:	C[6](C[6]C[5,6,6]O)(C[6]C[6]S)(CH3)	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(SC)	C[6](C[6]C[5,6,6]O)(C[6]C[6]S)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]C[5,6,6]H)(C[6]C[6]C)(O){1|H<1>,2|C<3>,2|C<4>,2|S<2>}	C[6](C[6]C[5,6,6]O)(C[6]C[6]C)(SC){1|O<1>,1|S<2>,2|C<4>}	119.6990	0.000	1	119.6990	0.000	1	119.6990	0.000	1	117.8637	2.987	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(NSi)	C[6](C[6]C[6]H)(C[6]C[6]N)(CC3){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<2>}	C[6](C[6]C[6]C)2(NSi){1|C<4>,2|H<1>}	118.4210	0.092	2	118.4210	0.008	2	118.4210	0.008	2	117.8637	2.987	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3)	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC3){1|Pd<4>,1|C<3>,2|C<4>}	C[6](C[6]C[6]PdC)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,2|H<1>}	117.1325	0.743	2	117.1325	0.552	2	117.1325	0.552	2	117.8637	2.987	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[6]HH)	C[6](C[6]C[6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(O){1|C<3>,1|N<3>,1|O<2>}	C[6](C[6]C[6]C)2(OC){1|C<4>,1|N<3>,1|O<1>}	117.8127	0.412	3	117.8127	0.170	3	117.8127	0.170	3	117.8637	2.987	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:2:	C[6]-3:C[6]-3:Si-4:	C[6]-4:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(SiC3)	C[6](C[6]C[6]CO)(C[6]C[6]Si)(O)	C[6](C[6]C[6]Si)(C[6]C[6]H)(OS)	C[6](C[6]C[6]O)2(SiC3){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]Si)(O){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(OS){1|C<4>,1|H<1>,1|O<1>}	113.5450	0.000	1	113.5450	0.000	1	113.5450	0.000	1	117.8637	2.987	11	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C[6](C[6]C[6]NiH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(NNiC)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|Ni<4>,1|H<1>,2|C<4>}	C[6](C[6]C[6]NiH)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]C)2(NNiC){1|Ni<4>,1|C<4>,2|H<1>}	118.6160	0.000	1	118.6160	0.000	1	118.6160	0.000	1	121.1165	12.505	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:3:	C[6]-3:C[6]-3:C-4:	Si[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-3:	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CH3)	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)2(CCH)	C[6](C[6]Si[5,6]H)(C[6]C[6]C)(CH3){2|C<3>,2|C<4>}	C[6](Si[5,6]C[5]2C[6])(C[6]C[6]C)(H){4|Si<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(CCH){1|Si<4>,2|H<1>}	123.6170	0.000	1	123.6170	0.000	1	123.6170	0.000	1	121.1165	12.505	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:B-4:	C[6]-4:C[6]-3:H-1:	C[6,6]-3:C[6]-3:P-4:	C[6](C[6]C[6,6]P)(C[6]C[6]H)(BC[6a]2C)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]B)(H)	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H)	C[6](C[6]C[6,6]P)(C[6]C[6]H)(BC[6a]2C){1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]B)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	C[6](C[6,6]C[6,6]C[6])(C[6]C[6]B)(PC[6a]2H){3|C<4>,4|H<1>}	115.8150	0.000	1	115.8150	0.000	1	115.8150	0.000	1	118.4903	6.410	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H)	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|Br<1>,1|C<4>,2|C<3>}	C[6](C[6]C[6a]C[6]C)(C[6]C[6]C)(H){1|C<4>,1|O<1>,3|C<3>}	C[6](C[6]C[6]Br)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>}	120.8490	0.000	1	120.8490	0.000	1	120.8490	0.000	1	118.4903	6.410	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	N[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](N[6]C[6]Rh)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]H)(C[6]N[6]C)(CH3){1|Rh<8>,1|H<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>}	C[6](N[6]C[6]Rh)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>}	118.8070	0.000	1	118.8070	0.000	1	118.8070	0.000	1	118.4903	6.410	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[3x6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(H)	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[3x6]H)(CCHH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O){2|C<4>,4|H<1>}	119.4735	0.158	2	119.4735	0.025	2	119.4735	0.025	2	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[3x6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH)	C[6](C[3x6]C[3x6]2C[6a])(C[6]C[6]C)(H)	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CCHH){1|C<3>,1|O<2>,3|C<4>}	C[6](C[3x6]C[3x6]2C[6a])(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<4>,4|C<3>}	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	119.6990	0.000	1	119.6990	0.000	1	119.2645	0.378	2	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[3x6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CH3)	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H)	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O)	C[6](C[6]C[3x6]H)(C[6]C[5,6]O)(CH3){1|O<2>,4|C<4>}	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[3x6]C[5]O[5])(C[6]C[6]C)(O){1|C<3>,3|C<4>,4|H<1>}	118.8300	0.000	1	118.8300	0.000	1	119.2645	0.378	2	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[3x6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CH3)	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H)	C[6](C[6]C[3x6]CO)(C[6]C[6]C)(O)	C[6](C[6]C[3x6]H)(C[6]C[6]O)(CH3){1|O<2>,4|C<4>}	C[6](C[3x6]C[3x6]2C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[3x6]CO)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	118.0370	0.000	1	118.0370	0.000	1	118.0370	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[4,5,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[4,5,6]H)(C[6]C[3,6]O)(CHHO)	C[6](C[4,5,6]C[3,5,6]C[4,5,6]O[4])(C[6]C[6]C)(H)	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]C)(O)	C[6](C[6]C[4,5,6]H)(C[6]C[3,6]O)(CHHO){1|H<1>,2|C<4>,2|O<2>}	C[6](C[4,5,6]C[3,5,6]C[4,5,6]O[4])(C[6]C[6]C)(H){1|O<1>,1|O<2>,5|C<4>}	C[6](C[3,6]C[3,5,6]O[3]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	120.8583	0.335	3	120.8583	0.112	3	120.8583	0.112	3	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[4,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[4,6]H)(C[6]C[6]O)(CH3)	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[4,6]H)(C[6]C[6]O)(CH3){1|C<4>,1|C<6>,3|H<1>}	C[6](C[4,6]C[5x3,4,5x5,20x6]C[4,6]H)(C[6]C[6]C)(H){1|C<4>,1|C<6>,1|H<1>,1|O<1>,4|B<6>}	C[6](C[6]C[4,6]HH)(C[6]C[6]C)(O){1|C<4>,1|C<6>,2|H<1>}	120.0010	0.000	1	120.0010	0.000	1	120.0010	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,3x6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,3x6]O)(C[6]C[5,6]H)(CC3)	C[6](C[5,3x6]C[5,3x6]C[5,6]O[6,6])(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,3x6]O)(C[6]C[5,6]H)(CC3){2|O<2>,3|C<4>}	C[6](C[5,3x6]C[5,3x6]C[5,6]O[6,6])(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|H<1>,1|O<1>,3|C<4>}	115.9580	0.000	1	115.9580	0.000	1	115.9580	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,5,6]-4:C[6]-3:H-1:	C[5,6,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,5,6]H)(C[6]C[5,6,6]O)(CH3)	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]C)(H)	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5,5,6]H)(C[6]C[5,6,6]O)(CH3){1|O<2>,4|C<4>}	C[6](C[5,5,6]C[5,5,6,6]C[3x5,6]O)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[5,6,6]C[5,5,6,6]C[5,5,6]C)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	118.2880	0.000	1	118.2880	0.000	1	118.2880	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(CH3)	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[5,5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[5,5,6]C[5,6]N[5,5]C[5])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>,4|C<3>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	120.3960	0.000	1	120.3960	0.000	1	120.3960	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6,6]-4:C[6]-3:H-1:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]O)(CH3)	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H)	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6,6]H)(C[6]C[5,6]O)(CH3){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[5,6,6]C[5,5,6]O[5,6]C[6])(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[5,6]C[5,5]O[5,6]H)(C[6]C[6]C)(O){2|H<1>,3|C<4>}	116.6950	0.222	2	116.6950	0.049	2	116.6950	0.049	2	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(H){2|O<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	118.8320	0.000	1	118.8320	0.000	1	119.4985	0.888	2	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	120.1650	0.000	1	120.1650	0.000	1	119.4985	0.888	2	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(CH3)	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]O)(C[6]C[6,6]H)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[5,6]C[6,6]C[5]2)(C[6]C[6]C)(O){1|C<4>,1|O<1>,3|C<3>,4|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	119.7180	0.000	1	119.7180	0.000	1	119.7180	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:Cl-1:	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH)	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(Cl)	C[6](C[6]C[5,6]O)(C[6]C[6]Cl)(CC[6a]HH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6a]C[5]C[6])(C[6]C[6]C)(O){1|Cl<1>,1|C<4>,1|H<1>,1|N<3>,1|O<1>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(Cl){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	118.7540	0.000	1	118.7540	0.000	1	118.7540	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]O)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,5]C[5,6]H)(C[6]C[6]C)(O){1|O<2>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	119.8740	0.000	1	119.8740	0.000	1	119.8740	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:Br-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO)	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br)	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]Br)(C[6]C[3,6]O)(CHHO){2|C<4>,3|O<2>}	C[6](C[6,6]C[3,6]O[6]2)(C[6]C[6]C)(Br){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[3,6]C[3,6]O[3]C)(C[6]C[6]C)(O){1|Br<1>,1|C<4>,1|H<1>}	121.1410	0.000	2	121.1410	0.000	2	121.1410	0.000	2	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6,6]H)(CHHO)	C[6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[6,6]H)(CHHO){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[3,6,6]C[6]O)(C[6]C[6]C)(H){1|C<3>,1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[3,6]C[3,6,6]O[3]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>}	120.1870	0.000	1	120.1870	0.000	1	120.1870	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	120.0775	0.033	2	120.0775	0.001	2	120.0182	0.537	6	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]2H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	119.4660	0.000	1	119.4660	0.000	1	120.0182	0.537	6	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	118.9230	0.000	1	118.9230	0.000	1	120.0182	0.537	6	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CHHO)	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]H)(C[6]C[6]O)(CHHO){2|H<1>,3|C<4>}	C[6](C[6,6]C[6,6]2C)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	120.7825	0.047	2	120.7825	0.002	2	120.0182	0.537	6	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CH3)	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6,6]O)(CH3){1|H<1>,2|C<4>,2|O<2>}	C[6](C[6,6]C[5,6]C[6,6]H)(C[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[5,6]C[6,6]O[5]2)(C[6]C[6]C)(H){1|H<1>,1|O<1>,4|C<4>}	119.2250	0.331	2	119.2250	0.110	2	119.2250	0.110	2	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]H)(C[6]C[6,6]O)(CCHH){1|H<1>,2|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|H<1>,1|O<1>,4|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(H){1|O<1>,2|H<1>,4|C<4>}	119.4660	0.000	1	119.4660	0.000	1	119.4660	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CCCH){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	117.6710	0.537	3	117.6710	0.289	3	118.0182	0.675	4	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){1|O<2>,2|H<1>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	119.0600	0.000	1	119.0600	0.000	1	118.0182	0.675	4	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CC3)	C[6](C[6]C[3,6]CC)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CC3){5|C<4>}	C[6](C[6]C[3,6]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	118.1870	0.000	1	118.1870	0.000	1	119.2865	2.418	2	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]CO)(C[6]C[6]C)(H)	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[6]H)(CH3){1|C<3>,1|O<2>,3|C<4>}	C[6](C[6]C[3,6]CO)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[3,6]C[3,6]C[3]C)(C[6]C[6]C)(O){1|C<4>,4|H<1>}	120.3860	0.000	1	120.3860	0.000	1	119.2865	2.418	2	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]H)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){3|C<4>,4|H<1>}	120.2140	0.000	1	120.2140	0.000	1	120.2140	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CCCH)	C[6](C[6]C[6]CuC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CuC)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)2(CCCH){1|Cu<5>,3|C<4>}	C[6](C[6]C[6]CuC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	C[6](C[6]C[6]CuC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>}	117.1010	0.000	1	117.1010	0.000	1	117.1010	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,3|H<1>}	119.6590	0.000	1	119.6590	0.000	1	119.8010	0.580	21	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6]HO){1|H<1>,4|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	121.4655	0.339	2	121.4655	0.115	2	119.8010	0.580	21	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,3|H<1>}	119.0070	0.000	1	119.0070	0.000	1	119.8010	0.580	21	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[6a]HO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,3|H<1>}	119.9260	0.000	1	119.9260	0.000	1	119.8010	0.580	21	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	120.0715	0.187	2	120.0715	0.035	2	119.8010	0.580	21	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	119.6620	0.160	2	119.6620	0.026	2	119.8010	0.580	21	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5]C[6]H)(C[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	119.6590	0.000	1	119.6590	0.000	1	119.8010	0.580	21	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[5a]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|H<1>,3|C<3>}	119.4280	0.000	2	119.4280	0.000	2	119.8010	0.580	21	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(O){2|C<3>,2|C<4>,3|H<1>}	119.8470	0.512	2	120.1433	0.394	3	119.8010	0.580	21	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(O){2|C<3>,2|H<1>,3|C<4>}	120.7360	0.000	1	120.1433	0.394	3	119.8010	0.580	21	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	118.9830	0.877	2	119.3145	0.434	6	119.8010	0.580	21	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	119.4802	0.598	4	119.3145	0.434	6	119.8010	0.580	21	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[5,6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH)	C[6](C[6]C[5,6]C[5]C)(C[6]C[6]C)(O)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(CCCH){1|C<3>,1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[5,6]C[5]C)(C[6]C[6]C)(O){1|C<3>,2|H<1>,4|C<4>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(H){1|O<1>,4|C<4>}	116.4230	0.000	1	116.4230	0.000	1	116.4230	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH)	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CC[5a]HH){1|C<3>,1|C<4>,3|H<1>}	C[6](C[6]C[6a]C[6]H)(C[6]C[6]C)(O){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|O<1>,2|H<1>}	115.0770	0.000	1	115.0770	0.000	1	118.5113	2.954	6	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(H){1|O<1>,3|C<4>}	119.3065	0.149	2	119.3065	0.022	2	118.5113	2.954	6	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]CH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|O<1>,1|O<2>}	119.7330	0.000	1	119.7330	0.000	1	118.5113	2.954	6	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]O)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(H){1|O<1>,1|O<2>,2|C<4>}	118.8225	0.019	2	118.8225	0.000	2	118.5113	2.954	6	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:S-4:	C[5,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]H)(C[6]C[6]O)(SC[6a]OO)	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]S)(H)	C[6](C[6]C[5,6]HH)(C[6]C[6]S)(O)	C[6](C[6]C[5,6]H)(C[6]C[6]O)(SC[6a]OO){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]O)(C[6]C[6]S)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]S)(O){1|C<3>,1|H<1>,2|C<4>}	122.5140	0.000	1	122.5140	0.000	1	122.5140	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:1:	C[6]-3:C[6]-3:Si-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC3)	C[6](C[6]C[6]CH)(C[6]C[6]Si)(H)	C[6](C[6]C[6]CH)(C[6]C[6]Si)(O)	C[6](C[6]C[6]H)(C[6]C[6]O)(SiC3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CH)(C[6]C[6]Si)(H){1|C<3>,1|C<4>,1|H<1>,1|O<1>}	C[6](C[6]C[6]CH)(C[6]C[6]Si)(O){1|C<3>,1|C<4>,2|H<1>}	119.4820	0.000	1	119.4820	0.000	1	119.4820	0.000	1	119.3801	1.803	69	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6,6]H)(C[6]C[6]N)(CH3)	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(NO)	C[6](C[6]C[6,6]H)(C[6]C[6]N)(CH3){1|C<4>,1|O<2>,3|H<1>}	C[6](C[6,6]C[6,6]O[6]H)(C[6]C[6]C)(H){1|N<2>,4|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(NO){1|H<1>,3|C<4>}	118.8750	0.000	1	118.8750	0.000	1	118.8750	0.000	1	117.8119	21.313	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)2(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)2(CCHH){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){2|O<1>,4|C<4>}	120.2970	0.000	2	120.2970	0.000	2	120.2970	0.000	2	117.8119	21.313	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	C[6](C[6]C[6]H)(C[6]C[6]N)(CCCH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|H<1>,1|N<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){2|C<4>,2|H<1>}	106.5380	0.000	1	106.5380	0.000	1	116.2308	41.874	4	117.8119	21.313	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]CH)(C[6]C[6]C)(NN[5])	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<4>,1|N<2>,2|H<1>}	C[6](C[6]C[6]CH)(C[6]C[6]C)(NN[5]){1|C<4>,3|H<1>}	119.9050	0.000	1	119.9050	0.000	1	116.2308	41.874	4	117.8119	21.313	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:N-2:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NN)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(H){1|C<3>,1|C<4>,1|H<1>,1|N<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NN){1|C<3>,1|C<4>,2|H<1>}	119.2400	0.246	2	119.2400	0.061	2	116.2308	41.874	4	117.8119	21.313	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:2:	C[6]-3:C[6]-3:Si-4:	C[6,6]-4:C[6]-3:O-1:	C[6,6]-4:C[6]-3:O-2:	C[6](C[6]C[6,6]O)2(SiC3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Si)(O)	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]Si)(OC)	C[6](C[6]C[6,6]O)2(SiC3){1|C<3>,1|I<1>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]Si)(O){1|O<1>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]I)(C[6]C[6]Si)(OC){2|O<1>,4|C<4>}	118.1030	0.000	1	118.1030	0.000	1	118.1030	0.000	1	117.8119	21.313	8	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(H)	C[6](C[6]C[6]HS)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC[6a]CH){1|C<4>,1|H<1>,1|S<4>,2|C<3>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(H){1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HS)(C[6]C[6]C)(CCH){1|C<4>,3|H<1>}	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	122.2520	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:1:	4:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:C-4:	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5,6]O)(C[6]C[6]C)(CH3){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5]2C[6])(C[6]C[6]C)(O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHH){1|C<4>,1|O<1>,2|H<1>}	120.3750	0.000	1	120.3750	0.000	1	120.3750	0.000	1	120.3750	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-2:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC)	C[6](O[6]C[6,6])(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]O[6]O)(CH3){1|C<3>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](O[6]C[6,6])(C[6]C[6]C)(O){1|C<3>,1|C<4>,1|O<2>}	118.7510	0.000	1	118.7510	0.000	1	118.7510	0.000	1	118.7510	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]CH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CC[6a]CH){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|O<2>}	117.3575	0.168	2	117.3575	0.028	2	118.3088	1.559	5	118.3088	1.559	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CC[6a]HH){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|O<2>}	120.4000	0.000	1	120.4000	0.000	1	118.3088	1.559	5	118.3088	1.559	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]O)2(CH3){1|C<3>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OC){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(O){1|C<4>,2|O<2>}	118.2145	0.071	2	118.2145	0.005	2	118.3088	1.559	5	118.3088	1.559	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CCHH){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	118.6320	0.000	1	118.6320	0.000	1	118.4720	0.038	3	118.4720	0.038	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CC[5]HH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CC[5]HH){2|C<3>,2|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	118.5290	0.000	1	118.5290	0.000	1	118.4720	0.038	3	118.4720	0.038	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]C)(OH)	C[6](C[6]C[6]C)2(OH)	C[6](C[6]C[6]O)2(CH3){1|C<4>,1|O<2>,2|C<3>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(OH){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)2(OH){1|C<4>,1|O<1>,1|O<2>}	118.2550	0.000	1	118.2550	0.000	1	118.4720	0.038	3	118.4720	0.038	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(OC)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH){1|Cr<9>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(OC){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH){1|Cr<9>,1|O<2>,2|C<4>}	119.2775	0.067	2	119.2775	0.005	2	119.7240	0.269	4	119.7240	0.269	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH)	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(OSi)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH){1|Cr<9>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]Cr)(C[6]C[6]C)(OSi){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CCHH){1|Cr<9>,1|O<2>,2|C<4>}	120.1705	0.069	2	120.1705	0.005	2	119.7240	0.269	4	119.7240	0.269	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,6]O[5]C)(C[6]C[6]C)(OC){1|C<3>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	121.1160	0.000	1	121.1160	0.000	1	121.1160	0.000	1	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<2>,1|C<4>,2|H<1>}	119.7680	0.225	2	119.7680	0.051	2	119.7680	0.051	2	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:Br-1:	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(Br)	C[6](C[6]C[6]Br)(C[6]C[6]N)(CC[6a]HO){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NO){1|Br<1>,1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(Br){1|C<4>,1|N<2>,2|H<1>}	117.5400	0.000	1	117.5400	0.000	1	117.5400	0.000	1	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:N-2:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NN)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NN){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|N<2>,3|C<4>}	120.2263	0.310	3	120.2263	0.096	3	120.2263	0.096	3	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3)	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(OC)	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]O)(C[6]C[6]O)(CH3){1|C<4>,2|H<1>,2|O<2>}	C[6](C[6]C[5,6]HO)(C[6]C[6]C)(OC){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[5,6]C[5,6]O[5]H)(C[6]C[6]C)(O){1|H<1>,2|C<4>,2|O<2>}	120.5300	0.000	1	120.5300	0.000	1	120.5300	0.000	1	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	119.8810	0.000	1	118.9435	0.340	6	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OC){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	118.7560	0.402	5	118.9435	0.340	6	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	119.2780	0.000	1	119.2780	0.000	1	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[3]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[3]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	119.5410	0.000	1	119.5410	0.000	1	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6]CH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	118.1820	0.417	6	117.8671	0.206	16	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6]CH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6]CH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	117.6781	0.376	10	117.8671	0.206	16	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	119.2240	0.298	2	119.0097	0.092	4	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	118.7955	0.053	2	119.0097	0.092	4	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6a]2H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	117.4120	0.000	1	117.4120	0.000	1	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	118.9730	0.000	1	118.6063	0.206	4	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CC[6a]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CC[6a]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	118.4840	0.469	3	118.6063	0.206	4	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6,6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	118.1580	0.000	1	118.1580	0.000	1	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|O<2>,2|H<1>}	118.9570	0.424	5	118.9592	0.144	6	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:2:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]O)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]O)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	118.9700	0.000	1	118.9592	0.144	6	118.4535	0.494	40	118.6988	0.888	48	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	2:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CCHH)	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](O[6]C[5,6])(C[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]O[6]O)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[6]C[5,6]HH)(C[6a]C[6a]2)(C[6]C[6]C){1|O<1>,1|O<2>,2|H<1>,4|C<3>}	C[6](O[6]C[5,6])(C[6]C[6]C)(O){1|C<4>,3|C<3>}	119.8890	0.000	1	119.8890	0.000	1	119.8890	0.000	1	119.8890	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN)	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(CCHN){1|C<4>,1|H<1>,3|C<3>}	C[6](C[6]C[6]CH)(C[6]C[6]2)(C[6]C[6]C){1|C<4>,2|C<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<3>,1|C<4>,1|H<1>}	119.2680	0.000	1	119.2680	0.000	1	119.2680	0.000	1	119.2680	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:N[5a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]C)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]N[5a])(C[6]C[6]H)(CH3){1|Zr<13>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(N[5a]C[5a,6a]2)(C[6]C[6]C){2|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|Zr<13>,1|N<3>,2|C<4>}	118.7715	0.107	2	118.7715	0.011	2	118.7715	0.011	2	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|O<2>}	118.6260	0.197	2	118.5970	0.022	3	118.9910	0.636	4	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]H)(O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(O){1|C<3>,1|C<4>,1|H<1>}	118.5390	0.000	1	118.5970	0.022	3	118.9910	0.636	4	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[6]C)2(O){1|C<3>,1|C<4>,1|N<3>}	120.1730	0.000	1	120.1730	0.000	1	118.9910	0.636	4	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3)	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CC3){1|Zr<16>,1|O<2>,2|C<4>}	C[6](C[6]C[6]ZrO)(C[6]C[6]C)(CHN){1|C<3>,1|H<1>,1|O<2>}	C[6](C[6]C[6]C)2(H){1|Zr<16>,1|C<3>,1|C<4>,1|O<2>}	116.6000	0.173	2	116.6000	0.030	2	118.6290	12.365	3	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3)	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O)	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3){1|C<3>,1|C<4>,2|O<2>}	C[6](C[6]O[6]CO)(C[6]C[6]C)(CC[6a]O){1|C<3>,1|H<1>}	C[6](C[6]C[6a]O[6])(C[6]C[6]C)(H){1|C<4>,3|C<3>}	122.6870	0.000	1	122.6870	0.000	1	118.6290	12.365	3	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(N[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6](C[6]C[6]C)(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|H<1>}	117.4170	0.000	1	117.4170	0.000	1	117.4170	0.000	1	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3)	C[6](C[6]C[6]IrC)(C[6]C[6]C)(NCC)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]H)(C[6]C[6]N)(CH3){1|Ir<7>,1|C<3>,2|C<4>}	C[6](C[6]C[6]IrC)(C[6]C[6]C)(NCC){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	117.0380	0.000	1	117.0380	0.000	1	117.0380	0.000	1	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]RuC)(C[6]C[6]C)(N[5]C[5]2)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3){1|Ru<6>,2|C<3>,3|C<4>}	C[6](C[6]C[6]RuC)(C[6]C[6]C)(N[5]C[5]2){1|C<3>,1|C<4>,1|N<3>,4|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	118.1710	0.000	1	117.5235	0.839	2	117.5235	0.839	2	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:N[5]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]RuC)(C[6]C[6]C)(N[5]C[5]2)	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]N[5])(C[6]C[6]H)(CH3){1|Ru<6>,2|C<4>,3|C<3>}	C[6](C[6]C[6]RuC)(C[6]C[6]C)(N[5]C[5]2){1|N<3>,1|P<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]C)2(H){1|C<4>,1|H<1>,1|N<3>}	116.8760	0.000	1	117.5235	0.839	2	117.5235	0.839	2	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH)	C[6](C[6]C[6]PdC)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CCCH){1|Pd<4>,1|H<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]PdC)(C[6a]C[6a]2)(C[6]C[6]C){1|N<2>,3|C<3>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|Pd<4>,1|C<3>,1|C<4>,1|H<1>}	119.3670	0.000	1	119.3670	0.000	1	119.3670	0.000	1	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6a]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CH3)	C[6](C[6]C[6a]C[6]O)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6a]C[6])(C[6]N[6]O)(CH3){1|O<2>,2|C<4>,3|C<3>}	C[6](C[6]C[6a]C[6]O)(C[6a]C[6a]2)(C[6]C[6]C){1|N<3>,1|O<1>,3|H<1>,5|C<3>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<4>,1|H<1>,2|C<3>}	119.6090	0.000	1	119.6090	0.000	1	119.6090	0.000	1	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]2Cr)(N[6]C[6]Ir)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Ir<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Cr)(N[6]C[6]Ir)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	117.4850	0.000	1	117.4850	0.000	1	117.3352	0.168	5	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]2Cr)(N[6]C[6]Mn)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Mn<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[6]C[6]2Cr)(N[6]C[6]Mn)(C[6]C[6]C){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	116.9130	0.000	1	116.9130	0.000	1	117.3352	0.168	5	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]2Cr)(N[6]C[6]Re)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Re<6>,1|C<3>,1|C<4>,1|C<5>,1|H<1>}	C[6](C[6]C[6]2Cr)(N[6]C[6]Re)(C[6]C[6]C){1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	116.9980	0.000	1	116.9980	0.000	1	117.3352	0.168	5	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:N[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3)	C[6](C[6]C[6]2Cr)(N[6]C[6]Rh)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]N[6])(C[6]C[6]H)(CH3){1|Cr<9>,1|Rh<8>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[6]2Cr)(N[6]C[6]Rh)(C[6]C[6]C){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<4>,1|H<1>,1|N<3>}	117.6400	0.413	2	117.6400	0.171	2	117.3352	0.168	5	118.2274	2.201	20	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:2:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)2(OC)	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]C)2(OC){1|C<3>,1|C<4>,1|O<1>}	122.0200	0.000	1	122.0200	0.000	1	122.0200	0.000	1	122.0200	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]OW)(C[6]C[6]2)(C[6]C[6]C)	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3)	C[6](C[6]C[6]2)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<2>,1|W<8>,2|C<3>}	C[6](C[6]C[6]OW)(C[6]C[6]2)(C[6]C[6]C){1|O<2>,3|C<3>,3|C<4>}	C[6](C[6]C[6]C)(C[6]C[6]H)(CF3){1|C<3>,2|C<4>}	117.4255	0.030	2	117.4255	0.001	2	117.4255	0.001	2	117.4255	0.001	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:B-4:	P[5]-4:C[6,6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6,6]P[5])(C[6]C[6]H)(BC[6a]2O)	C[6](P[5]C[5,6a]C[6a]C[5])(C[6,6]C[6,6]C[6])(C[6]C[6]B)	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]B)(H)	C[6](C[6]C[6,6]P[5])(C[6]C[6]H)(BC[6a]2O){1|H<1>,2|C<4>,4|C<3>}	C[6](P[5]C[5,6a]C[6a]C[5])(C[6,6]C[6,6]C[6])(C[6]C[6]B){4|C<4>,4|H<1>,5|C<3>}	C[6](C[6]C[6,6]C[6a]H)(C[6]C[6]B)(H){1|C<4>,1|H<1>,1|P<4>,3|C<3>}	114.7430	0.000	1	114.7430	0.000	1	114.7430	0.000	1	119.4257	3.161	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H)	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H)	C[6](C[6]C[5,6]C)(C[6]C[6]H)(CCHH){1|C<4>,2|C<3>,2|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CC[6a]H){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5,6]C[6a]H)(C[6]C[6]C)(H){1|C<4>,1|H<1>,4|C<3>}	117.1840	0.000	1	117.1840	0.000	1	117.1840	0.000	1	119.4257	3.161	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(CHH){1|H<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(H){1|C<3>,3|C<4>}	120.5880	0.000	1	120.5880	0.000	1	120.5880	0.000	1	119.4257	3.161	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H)	C[6](C[6]C[6]HO)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|H<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CC[5]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HO)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	120.4410	0.000	1	120.4410	0.000	1	121.1590	1.031	2	119.4257	3.161	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6a]HH){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|C<4>,2|H<1>}	121.8770	0.000	1	121.8770	0.000	1	121.1590	1.031	2	119.4257	3.161	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	119.7180	0.000	1	119.7877	0.033	3	119.7126	0.276	8	119.4257	3.161	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	119.8225	0.244	2	119.7877	0.033	3	119.7126	0.276	8	119.4257	3.161	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]2H){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NHH){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<4>,1|N<3>,2|H<1>}	118.8760	0.000	1	118.8760	0.000	1	119.7126	0.276	8	119.4257	3.161	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CC[6a]HN){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NC[6a]H){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	119.4505	0.583	2	119.4505	0.340	2	119.7126	0.276	8	119.4257	3.161	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3)	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH)	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O)	C[6](C[6]C[6]N)(C[6]C[6]O)(CH3){2|C<4>,3|H<1>}	C[6](C[6]C[3,6]HH)(C[6]C[6]C)(NHH){1|O<1>,3|C<4>}	C[6](C[6]C[3,6]CH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	120.2805	0.156	2	120.2805	0.024	2	119.7126	0.276	8	119.4257	3.161	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:3:	4:3:3:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-3:	C[6]-4:C[6]-3:C-3:	C[6](C[6]C[6]C)2(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN)	C[6](C[6]C[6]C)2(CH3){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHH){1|C<4>,3|C<3>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CHN){1|C<4>,3|C<3>}	119.5840	0.000	1	119.5840	0.000	1	119.5840	0.000	1	119.5840	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(C[6]O[6]O)(CH3){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|H<1>,3|C<4>}	119.7940	0.148	2	119.7940	0.022	2	120.0073	0.148	3	120.0073	0.148	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:2:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-3:O[6]-2:O-1:	C[6](C[6]C[6]C)(C[6]O[6]O)(CHHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)(O[6]C[6])(O)	C[6](C[6]C[6]C)(C[6]O[6]O)(CHHO){1|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(O[6]C[6])(O){1|H<1>,3|C<4>}	120.4340	0.000	1	120.4340	0.000	1	120.0073	0.148	3	120.0073	0.148	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CCHH){2|C<4>,2|H<1>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6,6]H)(C[6]C[6]C)(O){4|C<4>}	121.0300	0.000	1	121.0300	0.000	1	119.8863	1.113	3	119.8478	0.643	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]C)(C[6]C[6]O)(CH3){1|C<3>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]O)(C[6]C[6]C)(O){3|C<4>}	119.3145	0.514	2	119.3145	0.264	2	119.8863	1.113	3	119.8478	0.643	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3)	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(CH3){1|H<1>,3|C<4>}	C[6](C[6]C[5,6]CC)(C[6]C[6]C)(CCHO){1|C<3>,1|C<4>,1|H<1>,1|O<2>}	C[6](C[6]C[5,6]H)(C[6]C[6]C)(H){1|O<2>,3|C<4>}	118.6780	0.000	1	118.6780	0.000	1	118.6780	0.000	1	119.8478	0.643	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]C)2(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|C<2>,1|C<3>,1|C<4>,1|O<2>}	C[6](C[6]C[6]CO)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)2(O){3|C<4>}	120.2785	0.346	4	120.2785	0.120	4	120.2785	0.120	4	119.8478	0.643	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3)	C[6](C[6]C[6]C)(N[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]N[6]O)(CH3){2|C<4>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CC3){1|C<3>,1|H<1>,1|N<3>,1|O<1>}	C[6](C[6]C[6]C)(N[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	119.1790	0.000	1	119.1790	0.000	1	119.1790	0.000	1	119.8478	0.643	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-3:	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH)	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]C)(C[6]O[6]O)(CCH)	C[6](C[6]C[6,6]C)(C[6]C[6]C)(CCHH){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6,6]C[6]2O[6])(C[6]C[6]C)(CCHH){2|C<3>,2|C<4>,4|H<1>}	C[6](C[6]C[6]C)(C[6]O[6]O)(CCH){2|C<4>}	118.3420	0.000	1	118.3420	0.000	1	118.3420	0.000	1	118.3420	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	C[6](C[5,6]C[5,6]2Zr)(C[6]C[6]C)(CH3){2|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	121.9213	0.653	4	121.9213	0.426	4	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Cr<10>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Cr)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Cr<10>,3|C<4>}	121.5660	0.656	2	121.5660	0.431	2	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<12>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<12>,3|C<4>}	121.5797	0.654	6	121.6330	0.336	8	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<13>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<13>,3|C<4>}	122.0620	0.000	1	121.6330	0.336	8	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<13>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Hf)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Hf<13>,3|C<4>}	121.5240	0.000	1	121.6330	0.336	8	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Rh<8>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Rh)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Rh<8>,3|C<4>}	121.7475	0.898	4	121.7475	0.806	4	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Sc<12>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Sc<12>,3|C<4>}	120.6250	0.000	1	121.1275	0.505	2	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Sc<12>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Sc)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Sc<12>,3|C<4>}	121.6300	0.000	1	121.1275	0.505	2	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<10>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<10>,3|C<4>}	121.0440	0.000	1	121.4783	0.153	4	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<10>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<10>,3|C<4>}	121.8510	0.000	1	121.4783	0.153	4	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<9>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<9>,3|C<4>}	121.2540	0.000	1	121.4783	0.153	4	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<9>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Ti)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Ti<9>,3|C<4>}	121.7640	0.000	1	121.4783	0.153	4	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<12>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<12>,3|C<4>}	121.1506	0.329	13	121.4628	0.277	62	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<12>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<12>,3|C<4>}	121.7925	0.431	16	121.4628	0.277	62	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	120.4990	0.457	2	121.4628	0.277	62	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	121.2707	0.462	16	121.4628	0.277	62	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|Si<5>,1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<13>,3|C<4>}	121.7382	0.439	13	121.4628	0.277	62	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<9>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|C<3>,4|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<9>,3|C<4>}	120.9960	0.000	1	121.4628	0.277	62	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3)	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<9>,3|C<4>}	C[6](C[5,6]C[5,6]C[5]Zr)(C[6]C[6]C)(CH3){1|Si<4>,1|C<3>,3|C<4>}	C[6](C[6]C[5,6]C)(C[6]C[6]C)(CH3){1|Zr<9>,3|C<4>}	122.1330	0.000	1	121.4628	0.277	62	121.5085	0.304	86	121.5085	0.304	86	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[3x6]-4:C[6]-3:C-4:	C[3,6]-4:C[6]-3:O-1:	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3)	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(CH3)	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O)	C[6](C[6]C[3,6]O)(C[6]C[3x6]C)(CH3){1|H<1>,1|O<2>,3|C<4>}	C[6](C[3x6]C[3x6]2H)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[3,6]C[3x6]C[3]O[3])(C[6]C[6]C)(O){3|C<4>,3|H<1>}	120.1690	0.000	1	120.1690	0.000	1	120.1690	0.000	1	119.4242	2.571	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH)	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CCHH){1|C<3>,2|C<4>,2|H<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(CCHH){1|H<1>,1|O<2>,2|C<4>,2|O<1>}	C[6](C[5,6]C[5,5,6]C[5]H)(C[6]C[6]C)(O){1|H<1>,1|O<2>,5|C<4>}	121.3200	0.000	1	121.3200	0.000	1	119.4920	6.683	2	119.4242	2.571	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5,6]-4:C[6]-3:C-4:	C[5,6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO)	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO)	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]C)(C[6]C[5,6]O)(CHHO){1|H<1>,1|N<3>,3|C<4>}	C[6](C[5,6]C[5,5]N[5,6]H)(C[6]C[6]C)(CHHO){1|C<3>,1|D<1>,1|H<1>,1|O<1>,2|C<4>}	C[6](C[5,6]C[5,5]N[5,6]C)(C[6]C[6]C)(O){1|C<3>,1|D<1>,1|H<1>,3|C<4>}	117.6640	0.000	1	117.6640	0.000	1	119.4920	6.683	2	119.4242	2.571	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6,6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]C)(C[6]C[6,6]O)(CCHH){2|C<3>,3|C<4>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(CH3){1|C<3>,1|C<4>,2|H<1>,2|O<1>}	C[6](C[6,6]C[6,6]C[6]C)(C[6]C[6]C)(O){1|C<3>,1|O<1>,2|C<4>,2|H<1>}	121.0550	0.000	1	121.0550	0.000	1	121.0550	0.000	1	119.4242	2.571	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6,6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3)	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(CH3)	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O)	C[6](C[6]C[6,6]O)(C[6]C[6]C)(CH3){1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[6,6]HO)(C[6]C[6]C)(CH3){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6,6]C[6,6]C[6]H)(C[6]C[6]C)(O){3|H<1>,4|C<4>}	119.8360	0.000	1	119.8360	0.000	1	119.8360	0.000	1	119.4242	2.571	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCHH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CH3){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){4|C<4>}	120.4280	0.000	1	120.4280	0.000	1	118.8396	2.839	5	119.4242	2.571	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CC[6]HH){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(CCHO){1|C<4>,1|O<1>,2|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){2|C<4>,2|H<1>}	120.0600	0.000	1	120.0600	0.000	1	118.8396	2.839	5	119.4242	2.571	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCFF)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCFF){1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	116.1530	0.000	1	116.1530	0.000	1	118.8396	2.839	5	119.4242	2.571	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHO){1|H<1>,1|O<1>,2|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|H<1>,3|C<4>}	118.5370	0.000	1	118.5370	0.000	1	118.8396	2.839	5	119.4242	2.571	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:3:4:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(CC3)	C[6](C[6]N[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CH3){1|N<3>,4|H<1>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(CC3){1|C<4>,1|O<1>,1|S<4>}	C[6](C[6]N[6]HH)(C[6]C[6]C)(O){1|S<4>,2|C<4>}	119.0200	0.000	1	119.0200	0.000	1	118.8396	2.839	5	119.4242	2.571	10	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	4:4:3:	4:3:1:	C[6]-3:C[6]-3:C-4:	C[5]-4:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH)	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CC[3]HH){1|C<3>,2|C<4>,5|H<1>}	C[6](C[5]C[5,5]C[5]H)(C[6]C[6]HH)(C[6]C[6]C){1|C<3>,1|O<2>,2|H<1>,2|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|C<3>,1|H<1>,2|C<4>}	118.3580	0.000	2	118.3580	0.000	2	118.3580	0.000	2	118.3580	0.000	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	5:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[3x3,4,3x5,15x6]-5:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH)	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6]C)(CCHH)	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH){1|C<4>,4|B<6>}	C[6](C[3x3,4,3x5,15x6]B[4x3,4,5x5,21x6]B[4x3,4,5x5,22x6]B[5x3,4x5,17x6]2)(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,1|C<5>,3|H<1>,5|B<6>}	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<5>,3|B<6>}	124.5640	0.107	2	124.5640	0.012	2	124.5640	0.012	2	124.5640	0.012	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:1:	3:3:1:	C[6]-3:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[5x3,5x5,21x6]H)(C[6]C[6]H)(CC3)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(H)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(H)	C[6](C[6]C[5x3,5x5,21x6]H)(C[6]C[6]H)(CC3){1|C<4>,1|C<6>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(H){1|C<3>,5|B<6>,5|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(H){1|C<6>,1|H<1>,4|B<6>}	119.3580	0.392	2	119.3580	0.153	2	119.3580	0.153	2	119.3580	0.153	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CCHH){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,4|C<3>,5|B<6>,5|H<1>}	C[6](C[6]B[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){2|C<6>,2|H<1>,3|B<6>,3|C<3>}	124.2860	0.074	2	124.2860	0.005	2	123.4772	0.888	4	123.4772	0.888	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:3:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6a]C[6])(CH3){1|C<4>,1|C<6>,4|B<6>,4|C<3>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){4|C<3>,5|B<6>,6|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6a]C[6a]2)(C[6]C[6]C){1|C<6>,2|H<1>,3|C<3>,4|B<6>}	122.6685	0.204	2	122.6685	0.042	2	123.4772	0.888	4	123.4772	0.888	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:3:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:C[6a]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,2|C<3>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,3|C<3>,5|B<6>,6|H<1>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|C<6>,4|B<6>}	123.1070	0.000	1	123.1070	0.000	1	123.1070	0.000	1	123.1070	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:4:	3:3:3:	C[6]-3:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C[6a]-3:C[6]-3:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6a]C[6a]2)(C[6]C[6]C)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6a]C[6])(CCHH){1|Si<4>,1|C<6>,2|C<3>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){2|C<3>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6a]C[6a]2)(C[6]C[6]C){1|C<4>,1|C<6>,2|C<3>,2|H<1>,4|B<6>}	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	122.6500	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<5>,3|B<6>}	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|C<3>,2|C<4>,3|H<1>,5|B<6>}	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH){1|C<4>,4|B<6>}	123.8910	0.000	1	123.5525	0.229	2	123.5525	0.229	2	123.5537	0.228	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	B[4x3,4,5x5,22x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH)	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]B[4x3,4,5x5,22x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<5>,3|B<6>}	C[6](B[4x3,4,5x5,22x6]C[3x3,4,3x5,14x6]C[3x3,4,3x5,15x6]B[5x3,4x5,17x6]2B[5x3,4x5,19x6])(C[6]C[6]C)(CCHH){1|Si<4>,1|C<3>,1|C<4>,3|H<1>,5|B<6>}	C[6](C[6]C[3x3,4,3x5,15x6]C)(C[6]C[6]C)(CCHH){1|C<4>,4|B<6>}	123.2140	0.000	1	123.5525	0.229	2	123.5525	0.229	2	123.5537	0.228	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	B[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<6>,3|B<6>}	C[6](B[5x3,5x5,21x6]B[5x3,5x5,20x6]3C[5x3,5x5,20x6]C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	123.5480	0.000	1	123.5480	0.000	1	123.5480	0.000	1	123.5537	0.228	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH)	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]3B[5x3,5x5,21x6]C[5x3,5x5,20x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[6](C[6]B[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,2|C<6>,3|B<6>}	124.7140	0.000	1	124.7140	0.000	1	123.5256	0.304	9	123.5537	0.228	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CC3)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	123.9450	0.000	1	123.9450	0.000	1	123.5256	0.304	9	123.5537	0.228	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	123.3306	0.274	5	123.3306	0.075	5	123.5256	0.304	9	123.5537	0.228	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|C<3>,1|C<6>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]C[6a])(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,2|C<3>,4|B<6>}	122.9330	0.000	1	122.9330	0.000	1	123.5256	0.304	9	123.5537	0.228	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:C[6]-3:C-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|Si<4>,1|C<6>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(CCHH){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	123.4850	0.000	1	123.4850	0.000	1	123.5256	0.304	9	123.5537	0.228	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:4:	6:3:4:	3:3:4:	C[6]-3:C[6]-3:C-4:	C[5x3,5x5,21x6]-6:C[6]-3:Si-4:	C[6]-3:C[6]-3:C-4:	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH)	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(SiC3)	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5x3,5x5,21x6]Si)(C[6]C[6]C)(CCHH){1|C<4>,1|C<6>,4|B<6>}	C[6](C[5x3,5x5,21x6]B[5x3,5x5,20x6]4C[5x3,5x5,21x6])(C[6]C[6]C)(SiC3){1|C<3>,1|C<4>,4|H<1>,5|B<6>}	C[6](C[6]C[5x3,5x5,21x6]C)(C[6]C[6]C)(CCHH){1|Si<4>,1|C<6>,4|B<6>}	123.8150	0.000	1	123.8150	0.000	1	123.8150	0.000	1	123.5537	0.228	13	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:5:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-5:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CDy2OO)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CDy2OO){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.5580	0.000	1	118.5580	0.000	1	118.5480	0.650	3	118.5480	0.650	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:5:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-5:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(COOWW)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]H)2(COOWW){1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|B<4>,1|C<3>,1|H<1>}	117.7370	0.000	1	117.7370	0.000	1	118.5480	0.650	3	118.5480	0.650	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:5:	3:3:1:	3:3:1:	C[6]-3:C[6]-3:C-5:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]H)2(CRu2NN)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]H)2(CRu2NN){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	119.3490	0.000	1	119.3490	0.000	1	118.5480	0.650	3	118.5480	0.650	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:3:5:	3:3:3:	3:3:1:	C[6]-3:C[6]-3:C-5:	C[6a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CPdCCH)	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6])(C[6]C[6]H)(CPdCCH){1|C<2>,2|C<3>,2|H<1>}	C[6](C[6a]C[6a]2)(C[6]C[6]C)(C[6]C[6]H){1|N<3>,2|H<1>,3|C<3>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){2|C<3>}	118.0520	0.000	1	118.0520	0.000	1	118.0520	0.000	1	118.0520	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:2:3:	C[6]-3:P[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:H-1:	C[6]-3:O[6]-2:C-3:	C[6](C[6]C[6,6a]H)(P[6]O[6]2O)(C[6]O[6]C)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6])(H)	C[6](C[6]C[6]P[6])(O[6]C[6,6a])(CCH)	C[6](C[6]C[6,6a]H)(P[6]O[6]2O)(C[6]O[6]C){2|C<3>,2|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]P[6])(H){1|H<1>,1|O<1>,3|C<3>,3|O<2>}	C[6](C[6]C[6]P[6])(O[6]C[6,6a])(CCH){1|H<1>,1|O<1>,2|C<3>,2|O<2>}	120.1360	0.000	1	120.1360	0.000	1	120.1360	0.000	1	120.1360	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:1:	C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:Cl-1:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]Cl)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(Cl)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]Cl){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|Cl<1>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(Cl){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.4455	0.269	2	117.4455	0.073	2	117.4455	0.073	2	117.4455	0.073	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:2:	C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OH)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]O){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|O<2>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	118.1050	0.305	3	118.1050	0.093	3	118.1050	0.093	3	118.1050	0.093	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.6020	0.000	1	119.6020	0.000	1	117.9195	3.004	4	117.9195	3.004	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NC[6a]H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	119.1990	0.000	1	119.1990	0.000	1	117.9195	3.004	4	117.9195	3.004	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:3:1:	3:3:3:	C[6]-3:C[6]-4:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:N-3:	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NOO)	C[6](C[6]C[6,6a]O)(C[6]C[6]2H)(C[6]C[6]N){1|O<1>,2|C<3>,2|C<4>,4|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|N<3>,2|C<4>,2|H<1>,3|C<3>}	C[6](C[6]C[6,6a]O)(C[6]C[6]2)(NOO){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	116.4385	0.398	2	116.4385	0.158	2	117.9195	3.004	4	117.9195	3.004	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	3:4:4:	3:3:1:	C[6]-3:P[5]-4:C[6]-3:	C[6]-3:P[5]-4:C[6]-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]H)	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]HH)	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H)	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]H){1|C<3>,5|H<1>,6|C<4>}	C[6](C[6]C[6]P[5])(P[5]C[5]2Pt)(C[6]C[6]HH){1|C<3>,4|H<1>,6|C<4>}	C[6](C[6]C[6]P[5])(C[6]C[6]H)(H){1|Pt<4>,1|H<1>,1|P<4>,3|C<4>}	121.0160	0.000	1	121.0160	0.000	1	121.0160	0.000	1	121.0160	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	4:3:2:	3:2:2:	C[6]-3:C[6]-4:C[6]-3:	C[6]-4:C[6]-3:O[6]-2:	C[6]-3:O[6]-2:O-2:	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]O[6]O)	C[6](C[6]C[6]2H)(C[6]C[6]2)(O[6]B[6])	C[6](C[6]C[6]2)(O[6]B[6])(OC)	C[6](C[6]C[6]O[6])(C[6]C[6]2H)(C[6]O[6]O){1|B<4>,4|C<4>,5|H<1>}	C[6](C[6]C[6]2H)(C[6]C[6]2)(O[6]B[6]){2|F<1>,2|O<2>,4|C<4>,5|H<1>}	C[6](C[6]C[6]2)(O[6]B[6])(OC){1|H<1>,1|O<2>,2|F<1>,3|C<4>}	115.5480	0.000	1	115.5480	0.000	1	115.5480	0.000	1	115.5480	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	3:4:3:	4:3:4:	4:3:1:	C[6]-3:C-4:C[6]-3:	C[5,6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O)	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH)	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]C)(CC[6,6]HH)(C[6]C[6]O){2|C<4>,3|H<1>}	C[6](C[5,6]C[5,6]C[5]H)(C[6]C[6]C)(CCHH){1|O<1>,2|H<1>,4|C<4>}	C[6](C[6]C[5,6]HH)(C[6]C[6]C)(O){4|C<4>}	120.3990	0.000	1	120.3990	0.000	1	120.3990	0.000	1	120.3990	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:2:1:	3:2:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](BC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]B)(C[6]C[6])(H)	C[6](C[6]C[6]B)(C[6]C[6])(H)	C[6](BC[6a]2C[6])(C[6]C[6]H)2{1|C<2>}	C[6](C[6]C[6]B)(C[6]C[6])(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6])(H){1|C<2>,1|H<1>}	113.4260	0.000	1	113.4260	0.000	1	113.4260	0.000	1	118.7297	6.615	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:2:1:	3:2:1:	C-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](CC[6a]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](C[6]C[6]C)(C[6]C[6])(H)	C[6](CC[6a]C[6]O)(C[6]C[6]H)2{1|C<3>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6])(H){1|C<2>,2|H<1>}	118.5520	0.000	1	118.5520	0.000	1	118.5520	0.000	1	118.7297	6.615	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:2:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5]C[5]2H)(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[5]C[5]2H)(C[6]O[6]O)2{1|C<4>,1|H<1>,1|N<3>,1|O<1>,2|C<3>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	119.5485	0.897	2	120.4204	0.850	5	120.4204	0.850	5	118.7297	6.615	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:2:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[5]C[5]2H)(C[6]O[6]O)2	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[6]C[5]C[6])(O[6]C[6])(O)	C[6](C[5]C[5]2H)(C[6]O[6]O)2{1|C<4>,1|H<1>,1|N<4>,1|O<1>,2|C<3>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[5]C[6])(O[6]C[6])(O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	121.0017	0.172	3	120.4204	0.850	5	120.4204	0.850	5	118.7297	6.615	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:2:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]C[6]Ni)(C[6]C[6]H)2	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]C[6]Ni)(C[6]C[6]H)2{1|C<3>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<2>,2|H<1>}	118.3940	0.000	1	118.3940	0.000	1	118.3940	0.000	1	118.7297	6.615	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:2:1:	3:2:1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-2:H-1:	C[6](SiC[6a]2C)(C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](SiC[6a]2C)(C[6]C[6]H)2{1|C<3>}	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<2>,2|H<1>}	116.0930	0.000	1	116.0930	0.000	1	116.0930	0.000	1	118.7297	6.615	9	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:2:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-2:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|Fe<10>,1|C<2>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Fe<10>,1|H<1>,2|C<2>,2|C<4>}	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	117.0320	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:2:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:O[6]-2:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6]O[6]C)(C[6]C[6]O)(C[6]O[6]H)	C[6](C[6]C[6]2)(O[6]C[6])(H)	C[6](C[6]C[6]CC)(C[6]C[6]2)(O)	C[6](C[6]C[6,6]O[6]C)(C[6]C[6]O)(C[6]O[6]H){1|H<1>,6|C<4>}	C[6](C[6]C[6]2)(O[6]C[6])(H){1|H<1>,1|O<1>,2|O<2>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]2)(O){2|C<4>,2|H<1>,3|O<2>}	118.1860	0.000	1	118.1860	0.000	1	118.1860	0.000	1	118.1860	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	2:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	O[6]-2:C[6]-3:O-1:	C[6](C[6]C[5,6]N[6]H)(C[6]C[6,6a]O)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O)	C[6](O[6]C[6,6a])(C[6]C[6]2)(O)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6,6a]O)(C[6]O[6]O){1|O<2>,2|C<3>,2|H<1>,3|C<4>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6]2)(O){1|C<4>,1|N<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](O[6]C[6,6a])(C[6]C[6]2)(O){1|C<4>,1|H<1>,1|N<4>,1|O<1>,2|C<3>}	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	123.2140	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	As-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](AsC[6]2Pd)(C[6]C[6]H)2	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]As)(C[6]C[6])(H)	C[6](AsC[6]2Pd)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.3320	0.000	1	118.3320	0.000	1	118.3320	0.000	1	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	B-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](BC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]B)(C[6]C[6]H)(H)	C[6](C[6]C[6]B)(C[6]C[6])(H)	C[6](BC[6a]2C[6])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]B)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]B)(C[6]C[6])(H){1|C<3>,2|H<1>}	113.6400	0.000	1	113.6400	0.000	1	113.6400	0.000	1	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](CC[6a]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6])(H)	C[6](CC[6a]C[6]O)(C[6]C[6]H)2{1|H<1>,1|N<3>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|Pd<4>,1|C<2>,1|H<1>}	C[6](C[6]C[6]C)(C[6]N[6])(H){1|Pd<4>,1|C<3>,1|H<1>}	116.8230	0.000	1	116.8230	0.000	1	116.8230	0.000	1	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[3]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[3]C[3]2H)(C[6]C[6]H)2	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[3]C[6])(C[6]C[6])(H)	C[6](C[3]C[3]2H)(C[6]C[6]H)2{3|C<3>,3|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]H)(H){1|C<2>,2|C<4>,3|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6])(H){1|C<3>,2|C<4>,3|H<1>}	118.4650	0.000	1	118.4650	0.000	1	118.4650	0.000	1	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[4]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[4]C[6a]C[4]2)(C[6]C[6]H)2	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[4]C[6])(C[6]C[6])(H)	C[6](C[4]C[6a]C[4]2)(C[6]C[6]H)2{2|O<2>,3|H<1>,4|C<3>}	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6])(H){2|C<3>,2|C<4>,2|H<1>}	116.6200	0.000	1	116.6200	0.000	1	116.6200	0.000	1	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[5,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5,6]C[6])(N[6]C[6])(H)	C[6](C[5,6]C[5,5,6]C[5,6]H)(C[6]C[6]H)(C[6]N[6]H){1|C<2>,1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]H)(H){1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5,6]C[6])(N[6]C[6])(H){1|C<3>,2|C<4>,2|H<1>}	116.3310	0.000	1	116.3310	0.000	1	116.3310	0.000	1	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]C[6])(H)	C[6](C[5]C[5,6a]N[5a]C[5])(C[6]C[6]H)2{1|H<1>,1|N<2>,1|N<3>,1|O<1>,4|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<2>,1|F<1>,1|H<1>,1|N<3>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6])(H){1|F<1>,1|H<1>,1|N<3>,3|C<3>}	119.4800	0.000	1	119.4800	0.000	1	119.4800	0.000	1	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[5]C[5]2Fe)(C[6]N[6]H)2	C[6](C[6]C[5]C[6])(N[6]C[6]Cu)(H)	C[6](C[6]C[5]C[6])(N[6]C[6])(H)	C[6](C[5]C[5]2Fe)(C[6]N[6]H)2{1|Cu<6>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]Cu)(H){1|Fe<10>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6])(H){1|Fe<10>,1|N<3>,2|C<4>,2|H<1>}	114.4570	0.000	1	114.4570	0.000	1	115.1564	0.377	5	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[5]C[5]2Fe)(C[6]N[6]H)2	C[6](C[6]C[5]C[6])(N[6]C[6]Ni)(H)	C[6](C[6]C[5]C[6])(N[6]C[6])(H)	C[6](C[5]C[5]2Fe)(C[6]N[6]H)2{1|Ni<6>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]Ni)(H){1|Fe<10>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6])(H){1|Fe<10>,1|N<3>,2|C<4>,2|H<1>}	115.4003	0.647	3	115.4003	0.419	3	115.1564	0.377	5	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:N[6]-2:H-1:	C[6](C[5]C[5]2Fe)(C[6]N[6]H)2	C[6](C[6]C[5]C[6])(N[6]C[6]Zn)(H)	C[6](C[6]C[5]C[6])(N[6]C[6])(H)	C[6](C[5]C[5]2Fe)(C[6]N[6]H)2{1|Zn<6>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]Zn)(H){1|Fe<10>,1|N<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6])(H){1|Fe<10>,1|N<3>,2|C<4>,2|H<1>}	115.1240	0.000	1	115.1240	0.000	1	115.1564	0.377	5	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:O[6]-2:O-1:	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6,6a]O)(C[6]O[6]O)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(O)	C[6](C[6]C[6,6]C[6])(O[6]C[6,6a])(O)	C[6](C[6,6]C[3x6]C[6,6]C)(C[6]C[6,6a]O)(C[6]O[6]O){2|C<4>,3|C<3>,3|H<1>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[6,6]C[6])(O){1|H<1>,1|O<1>,1|O<2>,2|C<3>,3|C<4>}	C[6](C[6]C[6,6]C[6])(O[6]C[6,6a])(O){1|O<1>,2|C<3>,3|C<4>}	118.2650	0.000	1	118.2650	0.000	1	118.2650	0.000	1	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]2Rh)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]2Rh)(C[6]C[6]H)2{1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|Rh<6>,1|C<2>,1|C<3>,1|C<4>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(H){1|Rh<6>,1|C<4>,2|C<3>,2|H<1>}	117.0930	0.000	1	117.0930	0.000	1	118.5930	2.011	3	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]C[6]N[6]H)(C[6]C[6]H)2{1|S<4>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	118.7740	0.000	1	118.7740	0.000	1	118.5930	2.011	3	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6])(H)	C[6](C[6]N[6]O[6]C)(C[6]C[6]H)2{1|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6])(H){1|C<3>,1|C<4>,1|N<3>,1|O<2>,2|H<1>}	119.9120	0.000	1	119.9120	0.000	1	118.5930	2.011	3	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	Ge-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](GeC[6]2Ge)(C[6]C[6]H)2	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H)	C[6](C[6]C[6]Ge)(C[6]C[6])(H)	C[6](GeC[6]2Ge)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]Ge)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]Ge)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.2360	0.000	1	118.2360	0.000	1	118.2360	0.000	1	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[5]C[6]Pd)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[5]C[6]Pd)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.6320	0.000	1	119.6320	0.000	1	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]2Ag)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]2Ag)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.6400	0.000	1	118.6400	0.000	1	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]2C[6])(C[6]C[6]H)2{1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	120.1680	0.000	1	120.1680	0.000	1	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]2Cu)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]2Cu)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.4350	0.431	3	118.4350	0.185	3	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]2Ir)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]2Ir)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.8810	0.000	1	118.8810	0.000	1	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]2Pd)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]2Pd)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.0710	0.251	3	118.0710	0.063	3	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]2Pt)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]2Pt)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,1|F<1>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|F<1>,1|H<1>}	118.7375	0.320	2	118.7375	0.103	2	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]2Ru)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]2Ru)(C[6]C[6]H)2{1|C<2>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,1|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,1|H<1>}	118.9060	0.000	1	118.9060	0.000	1	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]C[6]O)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.8730	0.000	1	118.8730	0.000	1	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.7770	0.000	1	118.7770	0.000	1	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]C[6]S)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]C[6]S)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.2065	0.088	2	119.2065	0.008	2	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]C[6]Sb)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]C[6]Sb)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	119.2990	0.000	1	119.2990	0.000	1	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]CrH)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]CrH)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.0550	0.000	1	118.0550	0.000	1	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]MoC)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]MoC)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.1390	0.454	3	118.1390	0.206	3	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]PdC)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]PdC)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.6250	0.048	2	118.6250	0.002	2	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](PC[6a]RuC)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]P)(C[6]C[6])(H)	C[6](PC[6a]RuC)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]P)(C[6]C[6])(H){1|C<3>,2|H<1>}	118.8360	0.000	1	118.8360	0.000	1	118.6856	0.326	25	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	P[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](P[6]C[6a]N[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H)	C[6](C[6]C[6]P[6])(C[6]C[6])(H)	C[6](P[6]C[6a]N[6]2)(C[6]C[6]H)2{1|H<1>,2|P<4>,3|C<3>}	C[6](C[6]C[6]P[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,2|N<2>}	C[6](C[6]C[6]P[6])(C[6]C[6])(H){2|C<3>,2|H<1>,2|N<2>}	118.9430	0.000	1	118.9430	0.000	1	118.9430	0.000	1	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](SiC[6a]2C[5])(C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](SiC[6a]2C[5])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	116.8390	0.000	1	116.8390	0.000	1	116.3327	0.729	6	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](SiC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](SiC[6a]2C[6])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	117.1810	0.000	1	117.1810	0.000	1	116.3327	0.729	6	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](SiC[6a]2O[4])(C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](SiC[6a]2O[4])(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	116.7460	0.000	1	116.7460	0.000	1	116.3327	0.729	6	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](SiC[6a]CC)(C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](SiC[6a]CC)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	114.7600	0.000	1	114.7600	0.000	1	116.3327	0.729	6	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](SiC[6a]C[6]Si)(C[6]C[6]H)2	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](C[6]C[6]Si)(C[6]C[6])(H)	C[6](SiC[6a]C[6]Si)(C[6]C[6]H)2{1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|C<2>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6])(H){1|C<3>,2|H<1>}	116.2350	0.071	2	116.2350	0.005	2	116.3327	0.729	6	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:2:1:	Si[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-2:H-1:	C[6](Si[6]C[6a]O[6]2)(C[6]C[6]H)2	C[6](C[6]Si[6]C[6])(C[6]C[6]H)(H)	C[6](C[6]Si[6]C[6])(C[6]C[6])(H)	C[6](Si[6]C[6a]O[6]2)(C[6]C[6]H)2{2|Si<4>,1|H<1>,3|C<3>}	C[6](C[6]Si[6]C[6])(C[6]C[6]H)(H){1|C<2>,1|C<3>,2|H<1>,2|O<2>}	C[6](C[6]Si[6]C[6])(C[6]C[6])(H){2|C<3>,2|H<1>,2|O<2>}	117.2060	0.000	1	117.2060	0.000	1	117.2060	0.000	1	117.7808	2.321	50	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	As-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](AsC[6]2Pd)(C[6]C[6]H)2	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](C[6]C[6]As)(C[6]C[6]H)(H)	C[6](AsC[6]2Pd)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]As)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.1570	0.000	1	118.1570	0.000	1	118.1570	0.000	1	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6]C[6]H)2	C[6](C[6]B[6,6]C[6])(C[6]N[6]H)(H)	C[6](C[6]B[6,6]C[6])(C[6]N[6]H)(H)	C[6](B[6,6]N[5a,6,6]N[5a,6]O[6])(C[6]C[6]H)2{1|N<3>,2|H<1>,5|C<3>}	C[6](C[6]B[6,6]C[6])(C[6]N[6]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	C[6](C[6]B[6,6]C[6])(C[6]N[6]H)(H){1|C<3>,1|O<2>,2|H<1>,2|N<3>}	113.8640	0.000	1	113.8640	0.000	1	113.8640	0.000	1	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	B[6a]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]B[6a]C[6])(C[6]C[6]H)(H)	C[6](C[6]B[6a]C[6])(N[6]C[6]H)(H)	C[6](B[6a]O[6a]2O)(C[6]C[6]H)(C[6]N[6]H){2|H<1>,3|C<3>}	C[6](C[6]B[6a]C[6])(C[6]C[6]H)(H){1|N<3>,2|H<1>,3|O<2>}	C[6](C[6]B[6a]C[6])(N[6]C[6]H)(H){1|C<3>,2|H<1>,3|O<2>}	115.3697	0.269	3	115.3697	0.072	3	115.3697	0.072	3	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5x3,5x5,20x6]HH)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|C<3>,1|H<1>}	118.4910	0.000	1	118.4910	0.000	1	117.8657	0.173	9	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]2C[6])(C[6]C[6]H)2	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](C[6]C[6]C)(C[6]N[6]H)(H)	C[6](CC[6a]2C[6])(C[6]C[6]H)2{1|N<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]N[6]H)(H){1|C<3>,2|H<1>}	117.8235	0.403	6	117.8235	0.162	6	117.8657	0.173	9	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[6a]SiH)(C[6]C[6]H)2	C[6](C[6]C[6]C)2(H)	C[6](C[6]C[6]C)2(H)	C[6](CC[6a]SiH)(C[6]C[6]H)2{1|C<3>,2|C<4>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	C[6](C[6]C[6]C)2(H){1|C<3>,1|H<1>,1|O<1>}	117.6795	0.316	2	117.6795	0.100	2	117.8657	0.173	9	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C-4:C[6]-3:C[6]-3:	N[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](CC[5x3,5x5,20x6]HO)(C[6]C[6]H)(C[6]N[6]H)	C[6](N[6]C[6]Co)(C[6]C[6]C)(H)	C[6](C[6]C[6]C)(C[6]C[6]H)(H)	C[6](CC[5x3,5x5,20x6]HO)(C[6]C[6]H)(C[6]N[6]H){1|Co<4>,1|C<3>,1|H<1>}	C[6](N[6]C[6]Co)(C[6]C[6]C)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]C)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	118.2350	0.000	1	118.2350	0.000	1	118.2350	0.000	1	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[3,5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,5]C[3,5,6]C[3]C[5])(C[6]C[6]H)2	C[6](C[6]C[3,5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[3,5]C[6])(C[6]N[6]H)(H)	C[6](C[3,5]C[3,5,6]C[3]C[5])(C[6]C[6]H)2{1|C<3>,1|N<3>,1|O<1>,2|C<4>,4|H<1>}	C[6](C[6]C[3,5]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[3,5]C[6])(C[6]N[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	117.1090	0.000	1	117.1090	0.000	1	117.1090	0.000	1	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[3,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]H)2	C[6](C[6]C[3,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[3,6]C[6])(C[6]C[6]H)(H)	C[6](C[3,6]C[3,6]C[3]C[6])(C[6]C[6]H)2{1|C<2>,2|C<4>,7|H<1>}	C[6](C[6]C[3,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	C[6](C[6]C[3,6]C[6])(C[6]C[6]H)(H){1|C<3>,1|H<1>,3|C<4>}	117.4960	0.000	1	117.4960	0.000	1	117.4960	0.000	1	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[4]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]H)2	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.7146	0.678	10	117.5887	0.588	11	117.5887	0.588	11	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[4]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]H)2	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)2{1|C<4>,1|N<3>,2|C<3>,4|H<1>}	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	C[6](C[6]C[4]C[6])(C[6]N[6]H)(H){1|C<3>,2|H<1>,3|C<4>}	116.3300	0.000	1	117.5887	0.588	11	117.5887	0.588	11	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[4]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[4]C[4]2H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[4]C[6])(N[6]C[6]H)(H)	C[6](C[4]C[4]2H)(C[6]C[6]H)(C[6]N[6]H){1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[4]C[6])(C[6]C[6]H)(H){1|N<3>,2|C<4>,3|H<1>}	C[6](C[6]C[4]C[6])(N[6]C[6]H)(H){1|C<3>,2|C<4>,3|H<1>}	117.1850	0.082	2	117.1850	0.007	2	117.1850	0.007	2	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(H)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<2>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,1|H<1>,6|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,4|C<3>}	120.2900	0.000	1	119.8010	0.182	3	119.8010	0.182	3	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6,6a]-3:C[6]-3:O-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H)	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O)	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(H)	C[6](C[5]C[5,6a]C[5]C)(C[6]C[6,6a]O)(C[6]C[6]H){1|O<2>,2|O<1>,4|C<3>}	C[6](C[6,6a]C[6,6a]C[6a])(C[6]C[5]C[6])(O){1|C<4>,2|H<1>,5|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6,6a]O)(H){1|C<4>,1|O<1>,4|C<3>}	119.5565	0.066	2	119.8010	0.182	3	119.8010	0.182	3	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Cu<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Cu<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.1600	0.000	1	117.9276	0.382	5	117.0128	1.266	13	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Cu<6>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Cu<6>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	117.4360	0.000	1	117.9276	0.382	5	117.0128	1.266	13	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Ir<6>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Ir<6>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.6510	0.000	1	117.9276	0.382	5	117.0128	1.266	13	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Pt<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Pt<4>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.0750	0.000	1	117.9276	0.382	5	117.0128	1.266	13	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Zn<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]N[6])(H){1|Fe<10>,1|Zn<5>,1|H<1>,1|N<3>,2|C<3>,2|C<4>}	118.3160	0.000	1	117.9276	0.382	5	117.0128	1.266	13	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|Fe<10>,1|Mo<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|Fe<10>,1|Mo<6>,1|C<3>,1|H<1>,2|C<4>}	116.0115	0.370	2	116.0115	0.137	2	117.0128	1.266	13	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)2{1|N<3>,2|C<4>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]N[6]H)(H){1|Fe<10>,1|C<3>,2|C<4>,2|H<1>}	116.7630	0.144	3	116.7630	0.021	3	117.0128	1.266	13	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]2Ru)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H)	C[6](C[5]C[5]2Ru)(C[6]C[6]H)2{1|N<3>,2|H<1>,4|C<4>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|Ru<10>,1|Mo<6>,1|C<3>,1|H<1>,2|C<4>}	C[6](C[6]C[5]C[6])(C[6]N[6]C)(H){1|Ru<10>,1|Mo<6>,1|C<3>,1|H<1>,2|C<4>}	115.4060	0.066	2	115.4060	0.004	2	117.0128	1.266	13	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[6a]Si[5]C[5])(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H)	C[6](C[5]C[6a]Si[5]C[5])(C[6]C[6]H)2{1|N<3>,1|O<1>,2|H<1>,3|C<3>,4|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]C)(H){1|Si<4>,1|C<4>,1|H<1>,1|O<1>,2|C<3>}	118.4050	0.000	1	118.4050	0.000	1	117.0128	1.266	13	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]Cu)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(C[6]N[6]H){1|Cu<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]Cu)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	116.4407	0.403	3	116.4407	0.163	3	116.9939	0.594	9	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]Pd)(H)	C[6](C[5]C[5]2Fe)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,2|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Fe<10>,1|C<3>,1|H<1>,1|N<3>,2|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]Pd)(H){1|Fe<10>,1|H<1>,2|C<3>,2|C<4>}	117.0027	0.586	3	117.0027	0.343	3	116.9939	0.594	9	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5]C[5]2H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[5]C[5]2H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,2|C<4>,6|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|N<3>,1|O<2>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	116.5010	0.000	1	116.5010	0.000	1	116.9939	0.594	9	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|N<4>,3|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	118.0570	0.563	2	118.0570	0.317	2	116.9939	0.594	9	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]Cu)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|Cu<5>,1|C<3>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]Cu)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,2|N<3>,3|H<1>}	117.1450	0.805	2	117.1450	0.648	2	117.4573	0.616	3	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5]C[6])(N[6]C[6]W)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5]N[5]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,1|W<6>,3|C<4>,3|H<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]W)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|C<4>,2|N<3>,3|H<1>}	118.0820	0.000	1	118.0820	0.000	1	117.4573	0.616	3	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[5]C[5,6a]N[5]H)(C[6]N[6]O)2	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[5]C[5,6a]N[5]H)(C[6]N[6]O)2{4|C<3>,4|C<4>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|N<4>,2|O<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|H<1>,1|N<3>,1|N<4>,2|O<1>}	122.0480	0.000	1	122.0480	0.000	1	121.7053	0.085	4	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[5]C[5]2H)(C[6]N[6]O)2	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O)	C[6](C[5]C[5]2H)(C[6]N[6]O)2{1|H<1>,1|N<4>,1|O<1>,2|C<4>,3|C<3>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	C[6](C[6]C[5]C[6])(N[6]C[6]C)(O){1|C<3>,1|C<4>,1|H<1>,1|N<3>,2|O<1>}	121.5910	0.223	3	121.5910	0.050	3	121.7053	0.085	4	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[6,6]C[6,6]N[3x6]H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6,6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[6,6]C[6])(N[6]C[6]H)(H)	C[6](C[6,6]C[6,6]N[3x6]H)(C[6]C[6]H)(C[6]N[6]H){1|C<3>,3|C<4>,5|H<1>}	C[6](C[6]C[6,6]C[6])(C[6]C[6]H)(H){1|C<4>,1|N<3>,1|N<4>,3|H<1>}	C[6](C[6]C[6,6]C[6])(N[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<4>,3|H<1>}	117.4630	0.031	2	117.4630	0.001	2	117.4630	0.001	2	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|H<1>,1|O<1>,2|C<3>,2|C<4>}	116.9980	0.488	2	116.9980	0.238	2	117.3566	0.733	5	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6,6a]C[6]H)(C[6]C[6]H)2{1|N<3>,3|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|O<1>,2|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){1|O<1>,2|H<1>,3|C<3>}	117.2475	1.240	2	117.2475	1.537	2	117.3566	0.733	5	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)2	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](C[6]C[6a]C[6]2)(C[6]C[6]H)2{1|C<2>,3|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,1|H<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<2>,1|H<1>,3|C<3>}	118.2920	0.000	1	118.2920	0.000	1	117.3566	0.733	5	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]C)(H)	C[6](C[6]C[6]2)(C[6]C[6]C)(O)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|H<1>,2|N<3>,3|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]C)(O){1|N<3>,2|C<3>,3|H<1>}	122.1320	0.000	1	122.1320	0.000	1	120.0770	4.700	4	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]N)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[5,6]N[6]H)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|C<4>,2|H<1>,3|N<3>}	C[6](C[6]C[6]2)(C[6]C[6]N)(H){1|N<3>,1|O<1>,2|C<3>,2|H<1>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|N<3>,2|C<3>,3|H<1>}	121.7650	0.000	1	121.7650	0.000	1	120.0770	4.700	4	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]O)(H)	C[6](C[6]C[6]2)(C[6]C[6]H)(O)	C[6](C[6]C[6,6a]C[6]C)(C[6]C[6]H)(C[6]C[6]O){1|H<1>,2|O<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]O)(H){1|C<4>,1|H<1>,1|O<1>,3|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(O){1|C<4>,2|H<1>,3|C<3>}	118.2055	0.148	2	118.2055	0.022	2	120.0770	4.700	4	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	N[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]2)(C[6]C[6]H)(H)	C[6](N[6]C[6]Ir)(C[6]C[6]2)(H)	C[6](C[6]C[6]2H)(C[6]C[6]H)(C[6]N[6]H){1|Ir<8>,1|C<4>,2|H<1>,4|C<3>}	C[6](C[6]C[6]2)(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|N<3>,3|H<1>}	C[6](N[6]C[6]Ir)(C[6]C[6]2)(H){1|C<4>,2|C<3>,3|H<1>}	119.4970	0.000	1	119.4970	0.000	1	119.4970	0.000	1	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:O-1:	C[6]-3:N[6]-3:O-1:	C[6](C[6]C[6]2O)(C[6]N[6]O)2	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](C[6]C[6]2)(N[6]C[6]C)(O)	C[6](C[6]C[6]2O)(C[6]N[6]O)2{1|C<3>,2|C<4>,2|N<3>,2|O<1>}	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|N<3>,1|O<2>,2|C<3>,2|O<1>}	C[6](C[6]C[6]2)(N[6]C[6]C)(O){1|N<3>,1|O<2>,2|C<3>,2|O<1>}	121.7270	0.000	1	121.7270	0.000	1	121.7270	0.000	1	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[5]C[6]O)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[5]C[6]O)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	120.2190	0.035	2	120.2190	0.001	2	118.9251	0.522	12	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[5]C[6]Pd)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[5]C[6]Pd)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.3940	0.000	1	118.3940	0.000	1	118.9251	0.522	12	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Mo)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Mo)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.3010	0.000	1	118.3010	0.000	1	118.9251	0.522	12	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Re)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Re)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.6550	0.000	1	118.6550	0.000	1	118.9251	0.522	12	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Rh)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Rh)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.6860	0.000	1	118.6860	0.000	1	118.9251	0.522	12	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]AgC)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]AgC)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.2410	0.000	1	118.2410	0.000	1	118.9251	0.522	12	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]C[6]C)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6]C)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.7000	0.000	1	118.7000	0.000	1	118.9251	0.522	12	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6]Pd)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.8730	0.000	1	118.8730	0.000	1	118.9251	0.522	12	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]C[6]Re)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]C[6]Re)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	119.7730	0.000	1	119.7730	0.000	1	118.9251	0.522	12	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]MoC)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]MoC)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.4210	0.000	1	118.4210	0.000	1	118.9251	0.522	12	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]RhC)(C[6]C[6]H)2	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]RhC)(C[6]C[6]H)2{1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|H<1>}	118.6190	0.000	1	118.6190	0.000	1	118.9251	0.522	12	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](SiC[6a]CC)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]Si)(N[6]C[6]Pd)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]CC)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(N[6]C[6]Pd)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	116.1850	0.158	2	116.1850	0.025	2	116.0532	0.258	6	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:1:	3:3:1:	Si-4:C[6]-3:C[6]-3:	C[6]-3:N[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](SiC[6a]C[6]C)(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[6]Si)(N[6]C[6]Pd)(H)	C[6](C[6]C[6]Si)(C[6]C[6]H)(H)	C[6](SiC[6a]C[6]C)(C[6]C[6]H)(C[6]N[6]H){1|Pd<4>,1|C<3>,1|H<1>}	C[6](C[6]C[6]Si)(N[6]C[6]Pd)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]Si)(C[6]C[6]H)(H){1|N<3>,2|H<1>}	115.9873	0.635	4	115.9873	0.403	4	116.0532	0.258	6	117.8385	2.712	93	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:2:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:O-2:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Mo)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]H)(C[6]C[6]P)(OC)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Mo)(C[6]C[6]H)(C[6]C[6]O){1|C<2>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(OC){1|C<3>,1|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<3>,1|O<2>}	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	118.7110	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-3:	C[6]-3:C[6]-3:O-1:	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH)	C[6](C[6]C[6]C)(C[6]C[6]O)(O)	C[6](CC[5,6]HH)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|O<1>,1|O<2>}	C[6](C[6]C[6]C)(C[6]C[6]O)(CCH){1|C<3>,1|C<4>,1|O<1>}	C[6](C[6]C[6]C)(C[6]C[6]O)(O){1|C<4>,2|C<3>}	118.7233	0.622	3	118.7233	0.387	3	118.7233	0.387	3	119.1825	1.101	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:3:	3:3:1:	C[4,5]-4:C[6]-3:C[6]-3:	C[5a]-3:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6](C[4,5]C[4,5]O[4]O[5])(C[6]C[5a]C[6])(C[6]C[6]H)	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O)	C[6](C[6]C[4,5]C[6])(C[6]C[6]H)(H)	C[6](C[4,5]C[4,5]O[4]O[5])(C[6]C[5a]C[6])(C[6]C[6]H){1|C<3>,1|H<1>,1|N<2>,1|O<1>,1|O<2>,1|S<2>,3|C<4>}	C[6](C[5a]N[5a]S[5a])(C[6]C[4,5]C[6])(C[6]C[6]O){1|C<4>,2|H<1>,2|O<2>,3|C<3>}	C[6](C[6]C[4,5]C[6])(C[6]C[6]H)(H){1|C<4>,1|H<1>,2|C<3>,2|O<2>}	120.5600	0.000	1	120.5600	0.000	1	120.5600	0.000	1	119.1825	1.101	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	119.5970	0.000	1	119.5970	0.000	1	120.3720	0.925	4	119.5248	2.400	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[5]C[6])(C[6]C[6]N)(O)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|N<3>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>,2|C<3>}	C[6](C[6]C[5]C[6])(C[6]C[6]N)(O){1|H<1>,1|O<2>,2|C<3>,2|C<4>}	119.5850	0.000	1	119.5850	0.000	1	120.3720	0.925	4	119.5248	2.400	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH)	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O)	C[6](C[5]C[3,5]O[5]H)(C[6]C[6]C)(C[6]C[6]O){1|C<4>,1|H<1>,1|O<1>,2|C<3>,2|O<2>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(CCHH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]O)(O){1|C<3>,1|O<2>,2|C<4>,2|H<1>}	121.1530	0.578	2	121.1530	0.335	2	120.3720	0.925	4	119.5248	2.400	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH)	C[6](C[6]C[6]2)(C[6]N[6]H)(H)	C[6](C[6]C[6]2H)(C[6]C[6]C)(C[6]C[6]H){1|C<4>,1|O<1>,2|N<3>,4|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(CCHH){1|C<4>,2|C<3>,3|H<1>}	C[6](C[6]C[6]2)(C[6]N[6]H)(H){2|C<3>,2|C<4>,2|H<1>}	118.3850	0.000	1	118.3850	0.000	1	118.3850	0.000	1	119.5248	2.400	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:3:4:	3:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:C-4:	C[6]-3:C[6]-3:O-1:	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH)	C[6](C[6]C[6]2)(C[6]C[6]O)(O)	C[6](C[6]C[6]O[6]H)(C[6]C[6]C)(C[6]C[6]O){1|C<3>,1|H<1>,1|O<1>,1|O<2>,3|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]O)(CCHH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]O)(O){1|C<3>,1|H<1>,1|O<2>,3|C<4>}	117.2760	0.000	1	117.2760	0.000	1	117.2760	0.000	1	119.5248	2.400	6	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:4:1:	3:3:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]H)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H)	C[6](C[5]C[5,6]C[5]Rh)(C[6]C[6]H)2{1|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|Rh<8>,1|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]H)(H){1|Rh<8>,2|H<1>,3|C<4>}	118.7980	0.000	1	118.7980	0.000	1	118.7980	0.000	1	118.7980	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:4:1:	3:4:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[3x6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[3x6]C[6])(C[6]C[6]CC)(O)	C[6](C[3x6]C[6,6]3)(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,5|H<1>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]HH)(H){1|O<1>,2|C<3>,2|C<4>,2|H<1>}	C[6](C[6]C[3x6]C[6])(C[6]C[6]CC)(O){2|C<3>,2|C<4>,3|H<1>}	120.1470	0.151	2	120.1470	0.023	2	120.1470	0.023	2	120.5006	1.266	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:4:1:	3:4:1:	C[5,6]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(O)	C[6](C[5,6]C[5,6]C[5]C[6])(C[6]C[6]H)(C[6]C[6]O){1|C<3>,1|O<1>,5|C<4>,6|H<1>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]HH)(H){1|C<3>,1|O<1>,2|H<1>,3|C<4>}	C[6](C[6]C[5,6]C[6])(C[6]C[6]CC)(O){1|C<3>,3|C<4>,3|H<1>}	119.3250	0.000	1	119.3250	0.000	1	119.3250	0.000	1	120.5006	1.266	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:4:1:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:H-1:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]H)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(H){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	120.5370	0.000	1	120.5370	0.000	1	120.5370	0.000	1	120.5006	1.266	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:4:1:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-1:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]O)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]O)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<4>,1|O<1>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,1|N<4>,1|O<1>,3|H<1>}	122.3470	0.000	1	122.3470	0.000	1	122.3470	0.000	1	120.5006	1.266	5	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OS)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]C[5]O)(C[6]C[6]O)2{1|C<4>,1|N<3>,1|O<1>,2|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OS){1|C<4>,1|O<1>,1|O<2>,2|C<3>,2|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<4>,2|C<3>,2|H<1>,2|O<2>}	117.6770	0.000	1	117.6770	0.000	1	119.1270	1.588	3	119.1270	1.588	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:4:2:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:O-2:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]O[5]H)(C[6]C[6]O)2{1|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(OH){1|C<3>,1|C<4>,1|O<1>,1|O<2>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|O<2>,3|H<1>}	119.8520	0.147	2	119.8520	0.022	2	119.1270	1.588	3	119.1270	1.588	3	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,5a]C[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,5|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|H<1>,1|O<1>,4|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|H<1>,1|N<3>,4|C<4>}	119.1910	0.000	1	119.1910	0.000	1	119.3390	0.620	4	119.3390	0.620	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]C[5a]C[5])(C[6]C[6]N)(C[6]C[6]O){1|C<4>,1|N<3>,1|O<1>,4|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|O<1>,3|C<3>,3|C<4>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|N<3>,3|C<3>,3|C<4>}	119.0200	1.008	2	119.0200	1.017	2	119.3390	0.620	4	119.3390	0.620	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:4:3:	3:4:1:	C[5]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:N-3:	C[6]-3:C[6]-4:O-1:	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H)	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O)	C[6](C[5]C[5,6a]N[5]H)(C[6]C[6]N)(C[6]C[6]O){2|C<4>,3|C<3>,4|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(NC[6a]H){1|C<3>,1|C<4>,1|N<3>,1|O<1>,3|H<1>}	C[6](C[6]C[5]C[6])(C[6]C[6]HH)(O){1|C<3>,1|C<4>,2|N<3>,3|H<1>}	120.1250	0.000	1	120.1250	0.000	1	119.3390	0.620	4	119.3390	0.620	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	3:4:4:	3:4:3:	C[3]-4:C[6]-3:C[6]-3:	C[6]-3:C[6]-4:S-4:	C[6]-3:C[6]-4:C-3:	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S)	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(SC[6a]OO)	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(CHH)	C[6](C[3]C[3,5]C[3]H)(C[6]C[6]C)(C[6]C[6]S){3|C<4>,6|H<1>}	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(SC[6a]OO){1|C<3>,1|H<1>,5|C<4>}	C[6](C[6]C[3]C[6])(C[6]C[6]HH)(CHH){1|H<1>,1|S<4>,5|C<4>}	117.2270	0.000	1	117.2270	0.000	1	117.2270	0.000	1	117.2270	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:1:	3:3:1:	C[3x6]-4:C[6]-3:C[6]-3:	C[5,6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x6]C[6,6]3)(C[6]C[5,6]H)(C[6]C[6]H)	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]C[6])(H)	C[6](C[6]C[3x6]C[6])(C[6]C[5,6]H)(H)	C[6](C[3x6]C[6,6]3)(C[6]C[5,6]H)(C[6]C[6]H){6|C<4>,7|H<1>}	C[6](C[5,6]C[5,6]C[5]C)(C[6]C[3x6]C[6])(H){1|C<3>,3|H<1>,6|C<4>}	C[6](C[6]C[3x6]C[6])(C[6]C[5,6]H)(H){1|H<1>,6|C<4>}	117.2870	0.000	1	117.2870	0.000	1	117.2870	0.000	1	118.6286	0.599	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Cu)(C[6]C[6]H)2	C[6](C[6]C[6]HH)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Cu)(C[6]C[6]H)2{1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<4>,2|H<1>}	118.6120	0.000	1	118.6120	0.000	1	118.8522	0.299	6	118.6286	0.599	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Pt)(C[6]C[6]H)2	C[6](C[6]C[6]TiN)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Pt)(C[6]C[6]H)2{1|Ti<10>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<4>,2|H<1>}	118.6743	0.478	3	118.6743	0.228	3	118.8522	0.299	6	118.6286	0.599	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:1:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Rh)(C[6]C[6]H)2	C[6](C[6]C[6]TiN)(C[6]C[6]P)(H)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Rh)(C[6]C[6]H)2{1|Ti<8>,1|C<3>,1|H<1>,1|N<3>}	C[6](C[6]C[6]TiN)(C[6]C[6]P)(H){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|C<4>,2|H<1>}	119.2390	0.767	2	119.2390	0.588	2	118.8522	0.299	6	118.6286	0.599	7	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:H-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[5,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(H)	C[6](C[6]C[6]CC)(C[6]C[6]2)(O)	C[6](C[6]C[5,6]C[6]O)(C[6]C[6]H)(C[6]C[6]O){1|O<2>,4|H<1>,6|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(H){1|O<1>,1|O<2>,2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]2)(O){1|O<2>,3|C<4>,3|H<1>}	117.9440	0.000	1	117.9440	0.000	1	117.9440	0.000	1	119.1710	3.011	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:1:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-1:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]N[6]H)(C[6]C[6]O)2{3|C<3>,3|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|C<3>,1|H<1>,1|N<4>,1|O<1>,3|C<4>}	120.3980	0.000	1	120.3980	0.000	1	120.3980	0.000	1	119.1710	3.011	2	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:2:	3:3:2:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-2:	C[6]-3:C[6]-3:O-2:	C[6](C[6]C[6]2H)(C[6]C[6]O)2	C[6](C[6]C[6]CC)(C[6]C[6]2)(OH)	C[6](C[6]C[6]2)(C[6]C[6]C)(OH)	C[6](C[6]C[6]2H)(C[6]C[6]O)2{1|O<2>,2|C<3>,2|H<1>,5|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]2)(OH){1|C<3>,1|H<1>,1|O<1>,1|O<2>,2|C<4>}	C[6](C[6]C[6]2)(C[6]C[6]C)(OH){1|H<1>,1|O<1>,1|O<2>,3|C<4>}	117.2300	0.000	1	117.2300	0.000	1	117.2300	0.000	1	117.2300	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:2:	4:3:1:	C-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](CC[6a]C[5]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](CC[6a]C[5]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	117.8450	0.000	1	117.8450	0.000	1	117.9491	0.149	35	118.0483	0.255	38	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:2:	4:3:1:	C-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](CC[6a]C[6]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](CC[6a]C[6]H)(C[6]C[6]O)2{1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(OH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|O<2>,3|C<4>}	117.9521	0.391	34	117.9521	0.153	34	117.9491	0.149	35	118.0483	0.255	38	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:2:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH){1|C<4>,1|O<1>,2|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|C<4>,1|O<2>,2|C<3>,3|H<1>}	119.1440	0.000	1	119.2067	0.004	3	119.2067	0.004	3	118.0483	0.255	38	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:2:	4:3:1:	C[6]-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:O-2:	C[6]-4:C[6]-3:O-1:	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH)	C[6](C[6]C[6]HH)(C[6]C[6]2)(O)	C[6](C[6]C[6,6a]C[6,6]H)(C[6]C[6]O)2{1|C<4>,4|C<3>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(OH){1|H<1>,1|O<1>,2|C<3>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]2)(O){1|H<1>,1|O<2>,2|C<3>,3|C<4>}	119.2380	0.048	2	119.2067	0.004	3	119.2067	0.004	3	118.0483	0.255	38	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:3:	4:3:1:	C-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:N-3:	C[6]-4:C[6]-3:O-1:	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O)	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](CC[5a]C[6a]H)(C[6]C[6]N)(C[6]C[6]O){1|C<4>,4|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(NCH){1|O<1>,3|C<4>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|N<3>,3|C<4>}	118.9450	0.000	1	118.9450	0.000	1	118.9450	0.000	1	118.9450	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:4:	3:3:1:	P-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6]-3:C[6]-3:H-1:	C[6](PC[6a]2Pd)(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]C[6]HH)(C[6]C[6]P)(CH3)	C[6](C[6]C[6]H)(C[6]C[6]P)(H)	C[6](PC[6a]2Pd)(C[6]C[6]C)(C[6]C[6]H){1|C<3>,3|H<1>}	C[6](C[6]C[6]HH)(C[6]C[6]P)(CH3){1|C<3>,2|H<1>}	C[6](C[6]C[6]H)(C[6]C[6]P)(H){1|H<1>,2|C<4>}	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	119.6050	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	4:3:3:	4:3:4:	4:3:1:	C-4:C[6]-3:C[6]-3:	C[6]-4:C[6]-3:C-4:	C[6]-4:C[6]-3:O-1:	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O)	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH)	C[6](C[6]C[6]HH)(C[6]C[6]C)(O)	C[6](CC[3,6]HH)(C[6]C[6]C)(C[6]C[6]O){2|H<1>,3|C<4>}	C[6](C[6]C[6]CC)(C[6]C[6]C)(CCHH){1|C<4>,1|H<1>,1|O<1>,1|O<2>}	C[6](C[6]C[6]HH)(C[6]C[6]C)(O){1|H<1>,1|O<2>,2|C<4>}	121.5310	0.000	1	121.5310	0.000	1	121.5310	0.000	1	121.5310	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5a]N[6])(H)	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]N[6]H)(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2{1|C<3>,1|C<5>,1|N<3>,5|B<6>,5|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5a]N[6])(H){1|Ir<6>,1|H<1>,1|S<2>,2|C<3>,4|B<6>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,4|B<6>}	116.7295	0.281	2	116.7295	0.079	2	117.1297	0.520	3	117.1230	0.347	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[6]N[6])(H)	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]N[6]H)(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]C[6]H)2{1|C<3>,1|C<5>,1|N<3>,5|B<6>,5|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[6]N[6])(H){1|Ir<6>,1|H<1>,1|N<3>,2|C<3>,4|B<6>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]N[6]H)(H){1|Ir<6>,1|C<3>,1|H<1>,4|B<6>}	117.9300	0.000	1	117.9300	0.000	1	117.1297	0.520	3	117.1230	0.347	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	5:3:3:	3:3:1:	3:3:1:	C[3x3,4,3x5,14x6]-5:C[6]-3:C[6]-3:	C[6]-3:N[5,6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]N[5,6]H)(C[6]C[6]H)	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(N[5,6]C[5,6]B[5])(H)	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5,6]H)(H)	C[6](C[3x3,4,3x5,14x6]B[4x3,4,5x5,21x6]2B[5x3,4x5,17x6]2)(C[6]N[5,6]H)(C[6]C[6]H){1|B<4>,1|C<3>,1|C<5>,5|B<6>,5|H<1>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(N[5,6]C[5,6]B[5])(H){1|H<1>,2|C<4>,3|C<3>,4|B<6>}	C[6](C[6]C[3x3,4,3x5,14x6]C[6])(C[6]C[5,6]H)(H){1|C<3>,1|H<1>,1|N<3>,4|B<6>}	117.1030	0.000	1	117.1030	0.000	1	117.1030	0.000	1	117.1230	0.347	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	C[3x3,3x5,12x6]-6:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Rh)(C[6]C[6]H)2	C[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H)	C[6](C[3x3,3x5,12x6]B[3x3,3x5,12x6]2B[5x3,3x5,11x6]2Rh)(C[6]C[6]H)2{1|C<3>,1|C<6>,4|B<6>,6|H<1>}	C[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<3>,4|B<6>}	C[6](C[6]C[3x3,3x5,12x6]C[6])(C[6]C[6]H)(H){1|Rh<10>,1|H<1>,2|C<3>,4|B<6>}	117.3300	0.000	1	117.3300	0.000	1	117.3300	0.000	1	117.5012	0.256	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5x3,5x5,20x6]C[6])(N[6]C[6]Ir)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,1|C<4>,5|B<6>,5|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,4|B<6>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(N[6]C[6]Ir)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	117.5350	0.000	1	117.5583	0.364	3	117.5583	0.364	3	117.5012	0.256	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5x3,5x5,20x6]C[6])(N[6]C[6]Ir)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,5|B<6>,5|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<5>,1|H<1>,1|N<3>,4|B<6>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(N[6]C[6]Ir)(H){1|C<5>,1|H<1>,2|C<3>,4|B<6>}	116.9670	0.000	1	117.5583	0.364	3	117.5583	0.364	3	117.5012	0.256	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:3:1:	C[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:N[6]-3:H-1:	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H)	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]C[5x3,5x5,20x6]C[6])(N[6]C[6]Ir)(H)	C[6](C[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]H)(C[6]N[6]H){1|Ir<6>,1|C<3>,5|B<6>,6|H<1>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<6>,1|H<1>,1|N<3>,4|B<6>}	C[6](C[6]C[5x3,5x5,20x6]C[6])(N[6]C[6]Ir)(H){1|C<6>,1|H<1>,2|C<3>,4|B<6>}	118.1730	0.000	1	117.5583	0.364	3	117.5583	0.364	3	117.5012	0.256	4	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	6:3:3:	3:3:1:	3:4:3:	B[5x3,5x5,20x6]-6:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-4:C-3:	C[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]C)(C[6]C[6]H)	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H)	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]IrH)(CNO)	C[6](B[5x3,5x5,20x6]B[5x3,5x5,20x6]4C[5x3,5x5,20x6])(C[6]C[6]C)(C[6]C[6]H){1|Ir<8>,1|C<3>,1|C<6>,4|B<6>,7|H<1>}	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]H)(H){1|C<3>,1|C<4>,1|C<6>,1|H<1>,4|B<6>}	C[6](C[6]B[5x3,5x5,20x6]C[6])(C[6]C[6]IrH)(CNO){1|C<3>,1|C<6>,2|H<1>,4|B<6>}	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	114.6440	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102
762	762	762	6:SP2_SP2_SP2	C[6]	C[6]	C[6]	7:3:3:	3:3:1:	3:3:1:	C[6x3]-7:C[6]-3:C[6]-3:	C[6]-3:C[6]-3:H-1:	C[6]-3:C[6]-3:H-1:	C[6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]2)(C[6]C[6]H)2	C[6](C[6]C[6x3]C[6])(C[6]C[6]C)(H)	C[6](C[6]C[6x3]C[6])(C[6]C[6]C)(H)	C[6](C[6x3]C[3,3,4,4,6]2C[3x3,4,6]2C[4x3,4,6]2)(C[6]C[6]H)2{10|H<2>,1|C<3>,2|C<4>,2|H<3>,6|H<1>}	C[6](C[6]C[6x3]C[6])(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<7>,4|C<6>}	C[6](C[6]C[6x3]C[6])(C[6]C[6]C)(H){1|C<3>,1|H<1>,1|O<1>,2|C<7>,4|C<6>}	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	116.9650	0.000	1	119.4179	2.734	124009	119.4387	2.815	127102